| 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 | 33.1 | Very low | 34.5 | Very low | 232 Ų | 232 | 159.8 Ų | 159.8 | 100% | 1.143 | 83% | 0.825 | S | S | * | * | 0 | 142.5 | 0 | -80.2 | 175.5 | 152.7 | 0 | 0 | 107.3 | |||||
| 2 | T | 36.3 | Very low | 35.7 | Very low | 129 Ų | 129 | 155.3 Ų | 155.3 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | trans | 56.4 | 147.7 | 175.1 | 55.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 3 | E | 32.1 | Very low | 36.1 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | cis | -175.9 | 152.1 | -36 | -121 | -177.1 | 153.2 | 0 | 0 | 106.8 | ||||
| 4 | K | 37.1 | Very low | 36.1 | Very low | 174 Ų | 174 | 155.4 Ų | 155.4 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | trans | 67.9 | 149.1 | 173.3 | -58.3 | -179.8 | 177.7 | -169.7 | 0 | 116 | ||||
| 5 | E | 36.6 | Very low | 36.3 | Very low | 161 Ų | 161 | 153.3 Ų | 153.3 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | cis | -157.7 | -174.3 | -2.4 | -128 | 177 | 111.8 | 0 | 0 | 111.3 | ||||
| 6 | V | 34.3 | Very low | 35.9 | Very low | 133 Ų | 133 | 149.1 Ų | 149.1 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | 111.8 | 135.4 | 158.4 | -173.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 7 | L | 35 | Very low | 35.6 | Very low | 146 Ų | 146 | 152.2 Ų | 152.2 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | trans | -58.2 | 157.3 | 176.9 | -72.4 | 66.8 | 0 | 0 | 0 | 112.1 | ||||
| 8 | E | 29.9 | Very low | 35.8 | Very low | 184 Ų | 184 | 150.1 Ų | 150.1 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | -170.4 | 166.2 | 58.7 | -159.8 | 162.6 | 127.8 | 0 | 0 | 111.8 | |||||
| 9 | S | 35.1 | Very low | 35.9 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -65.6 | 156 | -168.3 | -48.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 10 | P | 41.1 | Very low | 35.9 | Very low | 120 Ų | 120 | 150.3 Ų | 150.3 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | -159.2 | 168.2 | 87.7 | 40.9 | -20.8 | 0 | 0 | 0 | 120.3 | |||||
| 11 | K | 28.8 | Very low | 36.1 | Very low | 208 Ų | 208 | 147.2 Ų | 147.2 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | trans | 83.8 | 153.1 | 153.2 | -90.2 | -162 | 161.6 | 172.5 | 0 | 122.4 | ||||
| 12 | P | 49.7 | Very low | 36.6 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | trans | -116.3 | -169 | -163.5 | 44.5 | -31.8 | 0 | 0 | 0 | 114.5 | ||||
| 13 | P | 40.2 | Very low | 37.2 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | -147.1 | -168.8 | 103.5 | 39.4 | -21.4 | 0 | 0 | 0 | 116.9 | |||||
| 14 | F | 36.6 | Very low | 37.7 | Very low | 194 Ų | 194 | 142 Ų | 142 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -59.5 | 166.3 | -179.2 | -54.9 | -86.4 | 0 | 0 | 0 | 117.6 | ||||
| 15 | P | 38.9 | Very low | 38 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | -138.7 | 172 | 87.5 | 34.2 | -18.5 | 0 | 0 | 0 | 112.9 | |||||
| 16 | A | 30.4 | Very low | 38.3 | Very low | 86 Ų | 86 | 144.8 Ų | 144.8 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | cis | 166.6 | 122.3 | -23.9 | 0 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 17 | E | 30.5 | Very low | 38.7 | Very low | 201 Ų | 201 | 147.8 Ų | 147.8 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | trans | -143.9 | 164.5 | 166.8 | -78.2 | -149.5 | 136.8 | 0 | 0 | 112.5 | ||||
| 18 | T | 39.8 | Very low | 39.1 | Very low | 114 Ų | 114 | 149.7 Ų | 149.7 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | -75 | 158.8 | -155.4 | 46.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 19 | P | 36.1 | Very low | 39.7 | Very low | 131 Ų | 131 | 147.9 Ų | 147.9 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -80.1 | 120.6 | 175.4 | 32.6 | -32.9 | 0 | 0 | 0 | 112.2 | ||||
| 20 | Q | 36.8 | Very low | 39.8 | Very low | 173 Ų | 173 | 152.1 Ų | 152.1 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | -121.6 | 129.5 | 167.3 | -74.2 | -165.9 | -10.5 | 0 | 0 | 112.9 | ||||
| 21 | S | 40.2 | Very low | 39.8 | Very low | 87 Ų | 87 | 156 Ų | 156 | 61% | 0.608 | 81% | 0.811 | S | S | * | * | trans | 11.4 | 125.5 | 159.3 | 54.4 | 0 | 0 | 0 | 0 | 120.2 | L23 | S21-L23 PolarHBondContact O-N 2.8Š| ||
| 22 | G | 42.8 | Very low | 40.1 | Very low | 84 Ų | 84 | 156.4 Ų | 156.4 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -70.4 | 48.7 | 170 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 23 | L | 48.9 | Very low | 39.1 | Very low | 149 Ų | 149 | 155 Ų | 155 | 78% | 0.78 | 82% | 0.818 | S | S | * | * | trans | -105.8 | 8.2 | 174.9 | -76.1 | 176.6 | 0 | 0 | 0 | 114 | S21 | S21-L23 PolarHBondContact O-N 2.8Š| ||
| 24 | Q | 42.7 | Very low | 38.9 | Very low | 179 Ų | 179 | 154.9 Ų | 154.9 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -107.8 | -0.3 | 179.6 | -72.6 | 178.1 | -7.7 | 0 | 0 | 114.9 | L26 | Q24-L26 VanDerWaalsContact C-N 3.35Å; Q24-L26 PolarHBondContact O-N 3.45Å |
| 25 | R | 43.7 | Very low | 39 | Very low | 241 Ų | 241 | 151.7 Ų | 151.7 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 10.7 | 175.7 | -111.7 | -178.7 | 179.6 | -177.6 | -0.7 | 115.6 | ||
| 26 | L | 42.6 | Very low | 38.7 | Very low | 154 Ų | 154 | 154.6 Ų | 154.6 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 5.7 | 176.7 | -115.7 | 84 | 0 | 0 | 0 | 115.2 | Q24 | Q24-L26 VanDerWaalsContact C-N 3.35Å; Q24-L26 PolarHBondContact O-N 3.45Å |
| 27 | K | 43.8 | Very low | 39.1 | Very low | 195 Ų | 195 | 156.9 Ų | 156.9 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -104.1 | 15.7 | -179.6 | -76.9 | -167.5 | 174.1 | -175.8 | 0 | 115.2 | ||
| 28 | Q | 43.1 | Very low | 39.1 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -117.1 | 22.8 | -178.9 | -151 | 173.2 | 2.8 | 0 | 0 | 114.1 | ||
| 29 | I | 41.2 | Very low | 38.9 | Very low | 147 Ų | 147 | 157.6 Ų | 157.6 | 75% | 0.754 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -122.1 | -26.5 | 175.6 | -57.2 | 179.8 | 0 | 0 | 0 | 112 | K31 | I29-K31 PolarHBondContact O-N 3.21Š|
| 30 | F | 38.2 | Very low | 38.8 | Very low | 197 Ų | 197 | 160.2 Ų | 160.2 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -96.1 | 69.3 | 176.9 | -82.3 | -86.6 | 0 | 0 | 0 | 113.1 | ||
| 31 | K | 41.4 | Very low | 39.1 | Very low | 201 Ų | 201 | 160.8 Ų | 160.8 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | trans | -156 | 62.1 | 167.4 | -132.5 | -178.4 | -174.2 | -170.6 | 0 | 116.1 | I29 | I29-K31 PolarHBondContact O-N 3.21Š| ||
| 32 | K | 35.5 | Very low | 39.5 | Very low | 218 Ų | 218 | 161.6 Ų | 161.6 | 95% | 0.948 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -178.2 | 131.2 | 158.6 | -106.7 | -177.7 | 174.8 | -171 | 0 | 106.2 | ||
| 33 | G | 28.6 | Very low | 39.6 | Very low | 76 Ų | 76 | 163.2 Ų | 163.2 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | cis | -158 | 155.9 | -16.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 34 | S | 35.6 | Very low | 39.4 | Very low | 115 Ų | 115 | 162.1 Ų | 162.1 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 135.1 | -178 | 48.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 35 | P | 37.8 | Very low | 39.5 | Very low | 127 Ų | 127 | 162.1 Ų | 162.1 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 148.7 | 160.7 | 32.2 | -31.2 | 0 | 0 | 0 | 110.5 | ||
| 36 | E | 33.6 | Very low | 39.4 | Very low | 186 Ų | 186 | 156.8 Ų | 156.8 | 87% | 0.869 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 158.7 | -173.5 | -162.4 | 164 | 115.2 | 0 | 0 | 111.6 | ||
| 37 | T | 37.6 | Very low | 39.1 | Very low | 133 Ų | 133 | 158.2 Ų | 158.2 | 82% | 0.816 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 126.1 | -179.1 | 48.5 | 0 | 0 | 0 | 0 | 112 | ||
| 38 | T | 31.5 | Very low | 39.1 | Very low | 138 Ų | 138 | 154 Ų | 154 | 85% | 0.847 | 84% | 0.838 | S | S | * | * | trans | -127.9 | 137.1 | 161.9 | -58.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 39 | E | 35.9 | Very low | 39 | Very low | 193 Ų | 193 | 152 Ų | 152 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | trans | -80.5 | 160.6 | -170.8 | -58.7 | -178.6 | 134.1 | 0 | 0 | 112.8 | ||||
| 40 | M | 33.8 | Very low | 39.5 | Very low | 185 Ų | 185 | 148.8 Ų | 148.8 | 91% | 0.911 | 84% | 0.837 | S | S | * | * | trans | -107 | 111 | -172.9 | -172.7 | 170.6 | 75.3 | 0 | 0 | 110.3 | ||||
| 41 | E | 43.1 | Very low | 40 | Very low | 186 Ų | 186 | 148 Ų | 148 | 87% | 0.869 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -90 | 149.4 | 164.7 | -92.4 | -147.8 | 115.4 | 0 | 0 | 111.4 | ||
| 42 | P | 48.8 | Very low | 40 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 67% | 0.669 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -81 | 155.1 | -174.9 | 33.3 | -35.8 | 0 | 0 | 0 | 113.4 | ||
| 43 | P | 45.4 | Very low | 40.9 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 146.9 | 178.5 | 31.8 | -35.3 | 0 | 0 | 0 | 112.4 | ||
| 44 | P | 43.3 | Very low | 42.2 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 139 | 172.4 | 30.5 | -33.6 | 0 | 0 | 0 | 112 | ||
| 45 | E | 45.3 | Very low | 43.3 | Very low | 178 Ų | 178 | 135 Ų | 135 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 146.4 | 174.4 | -67.7 | -177.2 | 134.2 | 0 | 0 | 112.5 | ||
| 46 | P | 41 | Very low | 44.3 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78 | 126.3 | 177.1 | 31.3 | -33.2 | 0 | 0 | 0 | 111.4 | ||
| 47 | Q | 36.2 | Very low | 45.1 | Very low | 183 Ų | 183 | 127 Ų | 127 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 147.8 | 168.8 | -71.5 | -164.4 | -20 | 0 | 0 | 112.4 | N49 | Q47-N49 PolarHBondContact O-N 3.48Š|
| 48 | A | 44.7 | Very low | 45.6 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 88% | 0.876 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -92.6 | 85.9 | -159 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 49 | N | 40.9 | Very low | 46.3 | Very low | 145 Ų | 145 | 120.6 Ų | 120.6 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | -158.5 | 111.6 | 152.1 | 53.2 | -65.2 | 0 | 0 | 0 | 109.2 | Q47 E51 | Q47-N49 PolarHBondContact O-N 3.48Å; N49-E51 PolarHBondContact O-N 2.89Å | ||
| 50 | G | 52.2 | Low | 47 | Very low | 79 Ų | 79 | 116 Ų | 116 | 81% | 0.814 | 74% | 0.738 | S | S | * | * | trans | -73.4 | 110.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 51 | E | 48.1 | Very low | 47.8 | Very low | 181 Ų | 181 | 116.5 Ų | 116.5 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | trans | -174.8 | 103.4 | 132.1 | -103.8 | 175.9 | 96.7 | 0 | 0 | 108.9 | N49 V53 | N49-E51 PolarHBondContact O-N 2.89Å; E51-V53 PolarHBondContact O-N 3.34Å | ||
| 52 | A | 42.3 | Very low | 47.8 | Very low | 94 Ų | 94 | 116.3 Ų | 116.3 | 78% | 0.777 | 72% | 0.724 | S | S | * | * | trans | -86.2 | 103.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 53 | V | 52.9 | Low | 48.1 | Very low | 100 Ų | 100 | 118.2 Ų | 118.2 | 61% | 0.606 | 73% | 0.727 | S | S | * | * | trans | -89.5 | 121.3 | -179.6 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | E51 | E51-V53 PolarHBondContact O-N 3.34Š| ||
| 54 | G | 55.5 | Low | 48.4 | Very low | 17 Ų | 17 | 122.5 Ų | 122.5 | 18% | 0.175 | 73% | 0.729 | C | S | . | * | trans | -66.6 | 160.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G56 G57 | G54-G56 PolarHBondContact O-N 3.2Å; G54-G57 PolarHBondContact O-N 3.48Å | ||
| 55 | A | 59.2 | Low | 48.9 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 100% | 1.041 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 4.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 56 | G | 58.4 | Low | 48.9 | Very low | 81 Ų | 81 | 125 Ų | 125 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 9.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | G54 | G54-G56 PolarHBondContact O-N 3.2Š|
| 57 | G | 52 | Low | 49.2 | Very low | 63 Ų | 63 | 127.7 Ų | 127.7 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 79.2 | 24 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | G54 | G54-G57 PolarHBondContact O-N 3.48Š|
| 58 | G | 47.7 | Very low | 49.8 | Very low | 36 Ų | 36 | 127.7 Ų | 127.7 | 37% | 0.371 | 73% | 0.731 | S | S | . | * | S | Bend | trans | -131.6 | 157.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 59 | P | 46.5 | Very low | 50 | Low | 101 Ų | 101 | 131.5 Ų | 131.5 | 66% | 0.656 | 73% | 0.73 | S | S | * | * | trans | -69.6 | 139.8 | 179.5 | 28.9 | -34.5 | 0 | 0 | 0 | 111.7 | Y61 | P59-Y61 HydrophobicContact CG-CE2 4.44Š| ||
| 60 | I | 49.7 | Very low | 50.6 | Low | 98 Ų | 98 | 133.6 Ų | 133.6 | 50% | 0.503 | 74% | 0.736 | S | S | . | * | trans | -85.6 | 123.2 | 176.9 | -63.1 | 170 | 0 | 0 | 0 | 108.6 | Y62 | I60-Y62 HydrophobicContact CG2-CE1 4.39Å; I60-Y62 HydrophobicContact CG2-CE2 4.25Å | ||
| 61 | Y | 49.8 | Very low | 50.7 | Low | 195 Ų | 195 | 138.8 Ų | 138.8 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | trans | -91.5 | 115.8 | 169.2 | -67.4 | -86 | 0 | 0 | 0 | 109.2 | P59 I63 | P59-Y61 HydrophobicContact CG-CE2 4.44Å; Y61-I63 PolarHBondContact O-N 2.72Å | ||
| 62 | Y | 44.2 | Very low | 51.2 | Low | 182 Ų | 182 | 139.1 Ų | 139.1 | 71% | 0.714 | 74% | 0.74 | S | S | * | * | trans | -78.9 | 109.4 | 167.5 | -62.7 | -83.6 | 0 | 0 | 0 | 108.6 | I60 | I60-Y62 HydrophobicContact CG2-CE1 4.39Å; I60-Y62 HydrophobicContact CG2-CE2 4.25Å | ||
| 63 | I | 56 | Low | 51.9 | Low | 143 Ų | 143 | 143.2 Ų | 143.2 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | -83.1 | 115.5 | 165.2 | -59.2 | 173.3 | 0 | 0 | 0 | 105.6 | Y61 E65 | Y61-I63 PolarHBondContact O-N 2.72Å; I63-E65 HydrophobicContact CG2-CG 4.32Å; I63-E65 PolarHBondContact O-N 2.86Å | ||
| 64 | Y | 50.3 | Low | 52.1 | Low | 207 Ų | 207 | 147.3 Ų | 147.3 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | trans | -79.4 | 102.7 | 167.7 | -69.8 | -96 | 0 | 0 | 0 | 106.9 | E66 | Y64-E66 PolarHBondContact O-N 2.88Š| ||
| 65 | E | 53.4 | Low | 52.6 | Low | 172 Ų | 172 | 155 Ų | 155 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -75.7 | 112.3 | 159.3 | -68.2 | -179.3 | 165.7 | 0 | 0 | 105.8 | I63 E67 | I63-E65 HydrophobicContact CG2-CG 4.32Å; I63-E65 PolarHBondContact O-N 2.86Å; E65-E67 PolarHBondContact O-N 2.91Å | ||
| 66 | E | 46.4 | Very low | 52.9 | Low | 187 Ų | 187 | 154.5 Ų | 154.5 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -68.8 | 99.8 | 171.3 | -73.7 | 176.4 | 143.2 | 0 | 0 | 107.4 | Y64 E68 | Y64-E66 PolarHBondContact O-N 2.88Å; E66-E68 PolarHBondContact O-N 3.27Å | ||
| 67 | E | 47.6 | Very low | 53.4 | Low | 186 Ų | 186 | 156.2 Ų | 156.2 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -66.2 | 90 | 161.8 | -73.4 | -175 | 148.3 | 0 | 0 | 107.5 | E65 E69 | E65-E67 PolarHBondContact O-N 2.91Å; E67-E69 VanDerWaalsContact C-N 3.32Å; E67-E69 PolarHBondContact O-N 3Å | ||
| 68 | E | 48.3 | Very low | 54 | Low | 183 Ų | 183 | 159.1 Ų | 159.1 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -66.5 | 93.5 | 167.3 | -165.9 | 167.5 | -144.7 | 0 | 0 | 107 | E66 E70 | E66-E68 PolarHBondContact O-N 3.27Å; E68-E70 PolarHBondContact O-N 2.86Å | ||
| 69 | E | 48.6 | Very low | 55 | Low | 185 Ų | 185 | 164.3 Ų | 164.3 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -59.3 | 100.5 | 171.4 | -74.3 | -174 | 138.7 | 0 | 0 | 108.3 | E67 E71 | E67-E69 VanDerWaalsContact C-N 3.32Å; E67-E69 PolarHBondContact O-N 3Å; E69-E71 PolarHBondContact O-N 3Å | ||
| 70 | E | 52.8 | Low | 55.7 | Low | 189 Ų | 189 | 164.7 Ų | 164.7 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -60.8 | 100.1 | 167.3 | -77.6 | -171.5 | 141.9 | 0 | 0 | 108.2 | E68 E72 | E68-E70 PolarHBondContact O-N 2.86Å; E70-E72 PolarHBondContact O-N 3.44Å | ||
| 71 | E | 55.6 | Low | 56.1 | Low | 189 Ų | 189 | 166.1 Ų | 166.1 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -65.4 | 95.9 | 175.2 | -158 | 174.2 | -153.8 | 0 | 0 | 108.3 | E69 E73 | E69-E71 PolarHBondContact O-N 3Å; E71-E73 PolarHBondContact O-N 3.32Å | ||
| 72 | E | 58.1 | Low | 56.4 | Low | 187 Ų | 187 | 163.7 Ų | 163.7 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -63.9 | 100.7 | -179.4 | -170.1 | 175.3 | -164.6 | 0 | 0 | 109.5 | E70 E74 | E70-E72 PolarHBondContact O-N 3.44Å; E72-E74 PolarHBondContact O-N 2.86Å | ||
| 73 | E | 57.3 | Low | 56.9 | Low | 181 Ų | 181 | 163 Ų | 163 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -63.4 | 96.8 | -179.1 | -171 | 177.8 | -172.6 | 0 | 0 | 110.2 | E71 E75 | E71-E73 PolarHBondContact O-N 3.32Å; E73-E75 PolarHBondContact O-N 3.42Å | ||
| 74 | E | 57.4 | Low | 56.9 | Low | 186 Ų | 186 | 161.5 Ų | 161.5 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -56.2 | 111.5 | 173.8 | -87 | -162 | 137.3 | 0 | 0 | 109.9 | E72 | E72-E74 PolarHBondContact O-N 2.86Š| ||
| 75 | E | 64.6 | Low | 57.4 | Low | 179 Ų | 179 | 153 Ų | 153 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 132.9 | 175.4 | -75.7 | -163.6 | 154.2 | 0 | 0 | 110.5 | E73 | E73-E75 PolarHBondContact O-N 3.42Š|
| 76 | P | 66.4 | Low | 58.1 | Low | 114 Ų | 114 | 150.8 Ų | 150.8 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61 | 139.1 | -177.7 | 24.4 | -33.9 | 0 | 0 | 0 | 110.8 | ||
| 77 | P | 69.8 | Low | 59.5 | Low | 117 Ų | 117 | 147.5 Ų | 147.5 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -58 | 134.4 | -174.4 | 22.5 | -33.6 | 0 | 0 | 0 | 110.8 | E79 | P77-E79 PolarHBondContact O-N 3.4Š|
| 78 | P | 64.7 | Low | 61.1 | Low | 124 Ų | 124 | 141.9 Ų | 141.9 | 81% | 0.805 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 129.3 | -169.6 | 21.7 | -33.6 | 0 | 0 | 0 | 111.2 | ||
| 79 | E | 67.6 | Low | 62.8 | Low | 145 Ų | 145 | 134.1 Ų | 134.1 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 135.9 | -179.5 | -73.9 | -164.5 | 173.9 | 0 | 0 | 110.8 | P77 Q82 | P77-E79 PolarHBondContact O-N 3.4Å; E79-Q82 PolarHBondContact OE2-NE2 3.01Å |
| 80 | P | 61.8 | Low | 64.5 | Low | 110 Ų | 110 | 131.8 Ų | 131.8 | 71% | 0.714 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 133.4 | 176.5 | 25.4 | -33.7 | 0 | 0 | 0 | 108.8 | Q82 | P80-Q82 PolarHBondContact O-N 3.42Š|
| 81 | P | 58 | Low | 66.3 | Low | 128 Ų | 128 | 124.4 Ų | 124.4 | 83% | 0.831 | 65% | 0.651 | S | S | * | * | trans | -56.3 | 109.6 | -169.9 | 20.2 | -32.8 | 0 | 0 | 0 | 110.1 | L83 | P81-L83 PolarHBondContact O-N 3.2Š| ||
| 82 | Q | 54.8 | Low | 67.9 | Low | 144 Ų | 144 | 121.7 Ų | 121.7 | 67% | 0.673 | 64% | 0.636 | S | S | * | * | trans | -56.5 | 126 | 179.1 | -60.5 | -173.2 | 13.4 | 0 | 0 | 107.3 | E79 P80 V84 | E79-Q82 PolarHBondContact OE2-NE2 3.01Å; P80-Q82 PolarHBondContact O-N 3.42Å; Q82-V84 VanDerWaalsContact O-CG2 3.3Å; Q82-V84 WeakPolarHBondContact O-CG2 3.43Å; Q82-V84 PolarHBondContact O-N 3.34Å | ||
| 83 | L | 55.9 | Low | 69.4 | Low | 167 Ų | 167 | 117.5 Ų | 117.5 | 87% | 0.874 | 62% | 0.62 | S | S | * | * | trans | -78.1 | 73.6 | -172.9 | -143.2 | 169.6 | 0 | 0 | 0 | 108.8 | P81 N85 | P81-L83 PolarHBondContact O-N 3.2Å; L83-N85 PolarHBondContact O-N 2.96Å; L83-N85 VanDerWaalsContact O-N 3.1Å | ||
| 84 | V | 55.1 | Low | 70.7 | Confident | 112 Ų | 112 | 111.8 Ų | 111.8 | 68% | 0.679 | 59% | 0.593 | S | S | * | * | trans | -61.1 | 116 | -171.5 | -167.2 | 0 | 0 | 0 | 0 | 108.7 | Q82 D86 | Q82-V84 VanDerWaalsContact O-CG2 3.3Å; Q82-V84 WeakPolarHBondContact O-CG2 3.43Å; Q82-V84 PolarHBondContact O-N 3.34Å; V84-D86 PolarHBondContact O-N 3.15Å | ||
| 85 | N | 62.2 | Low | 72.1 | Confident | 28 Ų | 28 | 108.5 Ų | 108.5 | 15% | 0.15 | 58% | 0.576 | C | S | . | * | trans | -72 | 100.4 | 178.2 | 179.1 | 0.4 | 0 | 0 | 0 | 109.3 | L83 K87 P88 E135 Q137 R138 | L83-N85 PolarHBondContact O-N 2.96Å; L83-N85 VanDerWaalsContact O-N 3.1Å; N85-K87 PolarHBondContact O-N 3.36Å; N85-K87 PolarHBondContact OD1-N 3.1Å; N85-K87 PolarHBondContact OD1-O 3.33Å; N85-P88 WeakPolarHBondContact O-CD 3.41Å; N85-E135 PolarHBondContact ND2-O 3.47Å; N85-Q137 VanDerWaalsContact ND2-C 3.25Å; N85-Q137 PolarHBondContact ND2-O 3.35Å; N85-R138 WeakPolarHBondContact OD1-CA 3.35Å | ||
| 86 | D | 67.8 | Low | 72.9 | Confident | 125 Ų | 125 | 100.1 Ų | 100.1 | 67% | 0.668 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -48.3 | -25.9 | -178.9 | -52.8 | -43.8 | 0 | 0 | 0 | 114.6 | V84 R138 | V84-D86 PolarHBondContact O-N 3.15Å; D86-R138 IonicContact OD2-CZ 3.94Å; D86-R138 IonicContact OD2-NH1 2.7Å; D86-R138 PolarHBondContact OD2-NH1 3.14Å |
| 87 | K | 75.5 | Confident | 73.5 | Confident | 118 Ų | 118 | 103.4 Ų | 103.4 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -139.8 | 78.3 | -176.6 | -65.4 | -171.4 | 178.9 | -178.6 | 0 | 110.2 | N85 R138 C139 | N85-K87 PolarHBondContact O-N 3.36Å; N85-K87 PolarHBondContact OD1-N 3.1Å; N85-K87 PolarHBondContact OD1-O 3.33Å; K87-R138 HydrophobicContact CB-CG 4.21Å; K87-C139 WeakPolarHBondContact O-CB 3.41Å; K87-C139 PolarHBondContact O-N 2.98Å |
| 88 | P | 80.4 | Confident | 74 | Confident | 69 Ų | 69 | 105.5 Ų | 105.5 | 45% | 0.448 | 54% | 0.537 | S | S | . | . | trans | -69.4 | 154.3 | -179.4 | 30.2 | -33.5 | 0 | 0 | 0 | 111.8 | N85 K90 | N85-P88 WeakPolarHBondContact O-CD 3.41Å; P88-K90 PolarHBondContact O-N 3.05Å | ||
| 89 | H | 83.8 | Confident | 74.7 | Confident | 19 Ų | 19 | 103.6 Ų | 103.6 | 9% | 0.088 | 52% | 0.524 | C | S | . | . | trans | -73.6 | 114 | 174.9 | -78.7 | -102.3 | 0 | 0 | 0 | 111 | F91 C119 C122 V134 Q137 C139 | H89-F91 HydrophobicContact CB-CD2 3.81Å; H89-F91 HydrophobicContact CB-CE1 4.44Å; H89-F91 HydrophobicContact CB-CE2 3.26Å; H89-F91 HydrophobicContact CB-CZ 3.61Å; H89-F91 AromaticContact CG-CZ 3.97Å; H89-F91 WeakPolarHBondContact O-CD2 3.39Å; H89-F91 PolarHBondContact O-N 3.34Å; H89-C119 PolarHBondContact ND1-SG 3.12Å; H89-C122 PolarHBondContact CE1-SG 3.02Å; H89-C122 PolarHBondContact ND1-SG 3.31Å; H89-V134 HydrophobicContact CB-CG1 4.5Å; H89-Q137 PolarHBondContact CD2-O 3.01Å; H89-C139 HydrophobicContact CB-CB 4.46Å; H89-C139 WeakPolarHBondContact NE2-CA 3.48Å | ||
| 90 | K | 86.1 | Confident | 75.5 | Confident | 136 Ų | 136 | 101.2 Ų | 101.2 | 59% | 0.591 | 51% | 0.512 | S | S | * | . | trans | -78.2 | 86.5 | 171.4 | -63.2 | -168.5 | 178.5 | -171.3 | 0 | 110.5 | P88 C119 K120 | P88-K90 PolarHBondContact O-N 3.05Å; K90-C119 WeakPolarHBondContact O-CA 3.25Å; K90-K120 PolarHBondContact O-N 3.02Å | ||
| 91 | F | 89.9 | Confident | 76.6 | Confident | 35 Ų | 35 | 101.8 Ų | 101.8 | 15% | 0.154 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 154.5 | 174.3 | -70.1 | -71 | 0 | 0 | 0 | 112.3 | H89 L117 C119 I126 Q131 V134 | H89-F91 HydrophobicContact CB-CD2 3.81Å; H89-F91 HydrophobicContact CB-CE1 4.44Å; H89-F91 HydrophobicContact CB-CE2 3.26Å; H89-F91 HydrophobicContact CB-CZ 3.61Å; H89-F91 AromaticContact CG-CZ 3.97Å; H89-F91 WeakPolarHBondContact O-CD2 3.39Å; H89-F91 PolarHBondContact O-N 3.34Å; F91-L117 HydrophobicContact CB-CB 4.22Å; F91-L117 HydrophobicContact CB-CD2 4.42Å; F91-L117 HydrophobicContact CD1-CB 3.91Å; F91-L117 HydrophobicContact CG-CB 4.27Å; F91-C119 HydrophobicContact CD1-CB 3.89Å; F91-C119 HydrophobicContact CE1-CB 3.71Å; F91-C119 HydrophobicContact CZ-CB 4.38Å; F91-I126 HydrophobicContact CD1-CD1 4.07Å; F91-I126 HydrophobicContact CD1-CG1 4.23Å; F91-I126 HydrophobicContact CD2-CD1 4.4Å; F91-I126 HydrophobicContact CE1-CD1 3.49Å; F91-I126 VanDerWaalsContact CE1-CD1 3.49Å; F91-I126 HydrophobicContact CE1-CG1 3.78Å; F91-I126 HydrophobicContact CE2-CD1 3.83Å; F91-I126 HydrophobicContact CZ-CD1 3.36Å; F91-I126 HydrophobicContact CZ-CG1 4.17Å; F91-Q131 HydrophobicContact CD2-CG 4.21Å; F91-V134 HydrophobicContact CE2-CB 4.19Å; F91-V134 HydrophobicContact CE2-CG1 4.1Å; F91-V134 HydrophobicContact CZ-CB 4.13Å; F91-V134 HydrophobicContact CZ-CG1 3.79Å |
| 92 | K | 89.4 | Confident | 78 | Confident | 131 Ų | 131 | 95.8 Ų | 95.8 | 57% | 0.57 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 143.9 | 165.4 | -178.2 | 173.4 | 176 | 173.5 | 0 | 108.8 | R118 | K92-R118 PolarHBondContact N-O 2.71Å; K92-R118 PolarHBondContact O-N 2.77Å |
| 93 | D | 89.9 | Confident | 79.4 | Confident | 99 Ų | 99 | 92.1 Ų | 92.1 | 53% | 0.529 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.1 | 133.5 | 172.6 | -51.4 | -8.8 | 0 | 0 | 0 | 112.1 | F115 L117 | D93-F115 HydrophobicContact CB-CE2 3.71Å; D93-F115 HydrophobicContact CB-CZ 3.65Å; D93-L117 WeakPolarHBondContact OD1-CD2 3.46Å |
| 94 | H | 84.3 | Confident | 80.8 | Confident | 62 Ų | 62 | 87.1 Ų | 87.1 | 29% | 0.287 | 43% | 0.426 | S | S | . | . | trans | -148.4 | 112.4 | -177.8 | -178.9 | -70.5 | 0 | 0 | 0 | 111.6 | F96 G116 R118 | H94-F96 HydrophobicContact CB-CE1 4.36Å; H94-F96 HydrophobicContact CB-CZ 4.21Å; H94-F96 AromaticContact CE1-CD1 3.73Å; H94-F96 AromaticContact CE1-CE1 3.92Å; H94-F96 AromaticContact CG-CE1 3.94Å; H94-F96 AromaticContact ND1-CD1 3.25Å; H94-F96 VanDerWaalsContact ND1-CD1 3.25Å; H94-F96 WeakPolarHBondContact ND1-CD1 3.34Å; H94-F96 AromaticContact ND1-CE1 3.18Å; H94-F96 WeakPolarHBondContact ND1-CE1 3.37Å; H94-F96 AromaticContact ND1-CG 3.91Å; H94-F96 AromaticContact ND1-CZ 3.79Å; H94-F96 VanDerWaalsContact O-CD2 3.3Å; H94-F96 WeakPolarHBondContact O-CD2 3.43Å; H94-F96 VanDerWaalsContact O-CE2 3.24Å; H94-F96 WeakPolarHBondContact O-CE2 3.36Å; H94-F96 PolarHBondContact O-N 2.96Å; H94-G116 PolarHBondContact N-O 3.01Å; H94-R118 HydrophobicContact CB-CB 3.88Å; H94-R118 PolarHBondContact CD2-NH1 3.4Å; H94-R118 PolarHBondContact CE1-NH1 3.36Å; H94-R118 PolarHBondContact NE2-NH1 3.47Å | ||
| 95 | F | 85.5 | Confident | 82.1 | Confident | 117 Ų | 117 | 83.9 Ų | 83.9 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | trans | -68.5 | 119.1 | 172.8 | -176 | -88.2 | 0 | 0 | 0 | 112.2 | K97 N113 | F95-K97 HydrophobicContact CD1-CG 4.34Å; F95-K97 HydrophobicContact CE1-CG 4.41Å; F95-K97 PolarHBondContact O-N 3.27Å; F95-N113 WeakPolarHBondContact CD2-O 3.23Å; F95-N113 HydrophobicContact CE2-CB 4.41Å; F95-N113 WeakPolarHBondContact CE2-O 3.36Å | ||
| 96 | F | 81.6 | Confident | 83.2 | Confident | 3 Ų | 3 | 86.2 Ų | 86.2 | 1% | 0.013 | 43% | 0.431 | C | S | . | . | trans | -90.6 | 99.5 | -176.8 | -61 | -70.9 | 0 | 0 | 0 | 112.4 | H94 K98 K100 I109 K114 N125 | H94-F96 HydrophobicContact CB-CE1 4.36Å; H94-F96 HydrophobicContact CB-CZ 4.21Å; H94-F96 AromaticContact CE1-CD1 3.73Å; H94-F96 AromaticContact CE1-CE1 3.92Å; H94-F96 AromaticContact CG-CE1 3.94Å; H94-F96 AromaticContact ND1-CD1 3.25Å; H94-F96 VanDerWaalsContact ND1-CD1 3.25Å; H94-F96 WeakPolarHBondContact ND1-CD1 3.34Å; H94-F96 AromaticContact ND1-CE1 3.18Å; H94-F96 WeakPolarHBondContact ND1-CE1 3.37Å; H94-F96 AromaticContact ND1-CG 3.91Å; H94-F96 AromaticContact ND1-CZ 3.79Å; H94-F96 VanDerWaalsContact O-CD2 3.3Å; H94-F96 WeakPolarHBondContact O-CD2 3.43Å; H94-F96 VanDerWaalsContact O-CE2 3.24Å; H94-F96 WeakPolarHBondContact O-CE2 3.36Å; H94-F96 PolarHBondContact O-N 2.96Å; F96-K98 PolarHBondContact O-N 3.47Å; F96-K100 HydrophobicContact CD1-CB 4.34Å; F96-K100 HydrophobicContact CD1-CG 3.82Å; F96-K100 HydrophobicContact CE1-CG 4.38Å; F96-K100 HydrophobicContact CG-CB 4.48Å; F96-K100 HydrophobicContact CG-CG 4.27Å; F96-I109 HydrophobicContact CD2-CB 4.4Å; F96-I109 HydrophobicContact CD2-CD1 4.4Å; F96-I109 HydrophobicContact CD2-CG2 3.8Å; F96-I109 HydrophobicContact CE2-CD1 3.89Å; F96-I109 HydrophobicContact CE2-CG2 3.95Å; F96-I109 HydrophobicContact CZ-CD1 4.31Å; F96-K114 WeakPolarHBondContact CD2-O 3.39Å; F96-K114 PolarHBondContact N-O 2.9Å; F96-K114 WeakPolarHBondContact O-CB 3.48Å; F96-K114 VanDerWaalsContact O-CD 3.25Å; F96-K114 WeakPolarHBondContact O-CD 3.4Å; F96-N125 HydrophobicContact CE1-CB 4.09Å; F96-N125 VanDerWaalsContact CE1-OD1 3.26Å; F96-N125 WeakPolarHBondContact CE1-OD1 3.5Å; F96-N125 HydrophobicContact CZ-CB 3.87Å | ||
| 97 | K | 80.4 | Confident | 83.9 | Confident | 182 Ų | 182 | 88.8 Ų | 88.8 | 79% | 0.791 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -55.1 | -36.6 | 175.9 | -63.8 | -170.9 | 179.1 | -172.6 | 0 | 113.5 | F95 | F95-K97 HydrophobicContact CD1-CG 4.34Å; F95-K97 HydrophobicContact CE1-CG 4.41Å; F95-K97 PolarHBondContact O-N 3.27Å |
| 98 | K | 78.6 | Confident | 84.4 | Confident | 162 Ų | 162 | 86.9 Ų | 86.9 | 70% | 0.704 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -112.4 | 144.9 | 174.1 | -65 | -172.9 | 177.8 | -172.7 | 0 | 109.4 | F96 K100 | F96-K98 PolarHBondContact O-N 3.47Å; K98-K100 PolarHBondContact O-N 3.11Å |
| 99 | P | 80.3 | Confident | 84.6 | Confident | 83 Ų | 83 | 83.7 Ų | 83.7 | 54% | 0.539 | 40% | 0.404 | S | S | . | . | trans | -55.6 | 137.8 | 177.2 | 23.3 | -33.3 | 0 | 0 | 0 | 111.2 | M108 | P99-M108 HydrophobicContact CB-CG 4.05Å; P99-M108 HydrophobicContact CB-SD 3.52Å; P99-M108 VanDerWaalsContact CB-SD 3.52Å | ||
| 100 | K | 83.6 | Confident | 84.2 | Confident | 95 Ų | 95 | 87.4 Ų | 87.4 | 41% | 0.413 | 43% | 0.428 | S | S | . | . | trans | -128.1 | 149.9 | 174.9 | -68.8 | -60.3 | -178.6 | -176.6 | 0 | 108.8 | F96 K98 I109 | F96-K100 HydrophobicContact CD1-CB 4.34Å; F96-K100 HydrophobicContact CD1-CG 3.82Å; F96-K100 HydrophobicContact CE1-CG 4.38Å; F96-K100 HydrophobicContact CG-CB 4.48Å; F96-K100 HydrophobicContact CG-CG 4.27Å; K98-K100 PolarHBondContact O-N 3.11Å; K100-I109 HydrophobicContact CB-CD1 4.4Å; K100-I109 WeakPolarHBondContact O-CB 3.4Å; K100-I109 PolarHBondContact O-N 3Å | ||
| 101 | F | 85.6 | Confident | 82.9 | Confident | 122 Ų | 122 | 86.6 Ų | 86.6 | 54% | 0.535 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | -90.1 | 147.7 | 170.3 | -64.6 | -86.7 | 0 | 0 | 0 | 109.1 | A106 R107 M108 | F101-A106 WeakPolarHBondContact CD1-O 3.45Å; F101-R107 CarbonylContact C-O 3.5Å; F101-R107 WeakPolarHBondContact CA-O 3.36Å; F101-M108 HydrophobicContact CD1-CB 4.13Å; F101-M108 HydrophobicContact CD1-CG 4.43Å; F101-M108 HydrophobicContact CE1-CB 4Å; F101-M108 HydrophobicContact CE1-CE 4.01Å; F101-M108 HydrophobicContact CE1-CG 4.22Å; F101-M108 HydrophobicContact CZ-CE 3.8Å |
| 102 | C | 87.2 | Confident | 81.3 | Confident | 2 Ų | 2 | 92.1 Ų | 92.1 | 1% | 0.014 | 46% | 0.461 | C | S | . | . | trans | -76.3 | 129 | 171.7 | 167.3 | 0 | 0 | 0 | 0 | 109.5 | V104 A106 R107 I109 N125 H127 | C102-V104 PolarHBondContact O-N 3.42Å; C102-V104 VanDerWaalsContact O-N 3.14Å; C102-V104 PolarHBondContact SG-N 2.92Å; C102-A106 VanDerWaalsContact O-CA 3.24Å; C102-A106 WeakPolarHBondContact O-CA 3.12Å; C102-A106 PolarHBondContact O-N 3.3Å; C102-R107 PolarHBondContact N-O 3.45Å; C102-I109 HydrophobicContact CB-CD1 4.32Å; C102-I109 HydrophobicContact CB-CG1 4.05Å; C102-N125 WeakPolarHBondContact CA-O 3.41Å; C102-H127 VanDerWaalsContact CB-CE1 3.42Å; C102-H127 WeakPolarHBondContact CB-CE1 3.37Å; C102-H127 WeakPolarHBondContact CB-ND1 3.31Å | ||
| 103 | D | 84.6 | Confident | 80.1 | Confident | 68 Ų | 68 | 92.2 Ų | 92.2 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -5.1 | -179.1 | -64.9 | -56.6 | 0 | 0 | 0 | 113.8 | T124 N125 | D103-T124 HydrophobicContact CB-CG2 3.61Å; D103-T124 VanDerWaalsContact OD2-CA 3.24Å; D103-T124 WeakPolarHBondContact OD2-CA 3.38Å; D103-T124 WeakPolarHBondContact OD2-CG2 3.43Å; D103-N125 PolarHBondContact N-O 2.9Å; D103-N125 PolarHBondContact OD2-N 3.23Å |
| 104 | V | 84.4 | Confident | 79.2 | Confident | 62 Ų | 62 | 92.2 Ų | 92.2 | 38% | 0.376 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -60.8 | 178.6 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | C102 I126 C130 Y133 V134 | C102-V104 PolarHBondContact O-N 3.42Å; C102-V104 VanDerWaalsContact O-N 3.14Å; C102-V104 PolarHBondContact SG-N 2.92Å; V104-I126 HydrophobicContact CG2-CB 4.5Å; V104-I126 HydrophobicContact CG2-CG2 3.69Å; V104-C130 HydrophobicContact CB-CB 4.15Å; V104-C130 HydrophobicContact CG1-CB 4.42Å; V104-C130 HydrophobicContact CG2-CB 4.29Å; V104-Y133 HydrophobicContact CG1-CG 4.4Å; V104-V134 HydrophobicContact CG2-CG2 3.21Å |
| 105 | C | 84.1 | Confident | 79 | Confident | 43 Ų | 43 | 92.6 Ų | 92.6 | 29% | 0.291 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -2.3 | -174.5 | 72.2 | 0 | 0 | 0 | 0 | 113.8 | R107 H127 | C105-R107 PolarHBondContact O-N 3.25Å; C105-H127 PolarHBondContact SG-CE1 3Å; C105-H127 PolarHBondContact SG-ND1 3.45Å; C105-H127 VanDerWaalsContact SG-ND1 3.36Å |
| 106 | A | 84.3 | Confident | 79.1 | Confident | 78 Ų | 78 | 87 Ų | 87 | 65% | 0.645 | 44% | 0.439 | S | S | * | . | trans | 57.3 | 4.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116 | F101 C102 | F101-A106 WeakPolarHBondContact CD1-O 3.45Å; C102-A106 VanDerWaalsContact O-CA 3.24Å; C102-A106 WeakPolarHBondContact O-CA 3.12Å; C102-A106 PolarHBondContact O-N 3.3Å | ||
| 107 | R | 82.8 | Confident | 79.5 | Confident | 179 Ų | 179 | 87.2 Ų | 87.2 | 68% | 0.675 | 44% | 0.44 | S | S | * | . | trans | -83.3 | 159.3 | 176.4 | -58.3 | 178.5 | -169.3 | 150 | 4.4 | 111.3 | F101 C102 C105 | F101-R107 CarbonylContact C-O 3.5Å; F101-R107 WeakPolarHBondContact CA-O 3.36Å; C102-R107 PolarHBondContact N-O 3.45Å; C105-R107 PolarHBondContact O-N 3.25Å | ||
| 108 | M | 86.1 | Confident | 79.9 | Confident | 78 Ų | 78 | 82.2 Ų | 82.2 | 38% | 0.384 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -70.5 | 140.6 | 177.8 | -152.6 | -176.9 | -65.1 | 0 | 0 | 111.3 | P99 F101 V110 H127 | P99-M108 HydrophobicContact CB-CG 4.05Å; P99-M108 HydrophobicContact CB-SD 3.52Å; P99-M108 VanDerWaalsContact CB-SD 3.52Å; F101-M108 HydrophobicContact CD1-CB 4.13Å; F101-M108 HydrophobicContact CD1-CG 4.43Å; F101-M108 HydrophobicContact CE1-CB 4Å; F101-M108 HydrophobicContact CE1-CE 4.01Å; F101-M108 HydrophobicContact CE1-CG 4.22Å; F101-M108 HydrophobicContact CZ-CE 3.8Å; M108-V110 HydrophobicContact CB-CG1 3.88Å; M108-V110 HydrophobicContact CG-CG1 3.66Å; M108-V110 PolarHBondContact O-N 2.97Å; M108-V110 HydrophobicContact SD-CG1 3.55Å; M108-V110 VanDerWaalsContact SD-CG1 3.55Å; M108-H127 PolarHBondContact O-NE2 3.06Å |
| 109 | I | 84.7 | Confident | 80.4 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | trans | -82.8 | 90.1 | 173 | -55.6 | 174.7 | 0 | 0 | 0 | 107.3 | F96 K100 C102 F115 N125 | F96-I109 HydrophobicContact CD2-CB 4.4Å; F96-I109 HydrophobicContact CD2-CD1 4.4Å; F96-I109 HydrophobicContact CD2-CG2 3.8Å; F96-I109 HydrophobicContact CE2-CD1 3.89Å; F96-I109 HydrophobicContact CE2-CG2 3.95Å; F96-I109 HydrophobicContact CZ-CD1 4.31Å; K100-I109 HydrophobicContact CB-CD1 4.4Å; K100-I109 WeakPolarHBondContact O-CB 3.4Å; K100-I109 PolarHBondContact O-N 3Å; C102-I109 HydrophobicContact CB-CD1 4.32Å; C102-I109 HydrophobicContact CB-CG1 4.05Å; I109-F115 WeakPolarHBondContact CG2-O 3.42Å; I109-N125 HydrophobicContact CD1-CB 4.08Å | ||
| 110 | V | 74.9 | Confident | 80.7 | Confident | 97 Ų | 97 | 77.4 Ų | 77.4 | 59% | 0.588 | 39% | 0.387 | S | S | * | . | trans | -128.2 | 5.8 | -175.5 | -66.2 | 0 | 0 | 0 | 0 | 113.5 | M108 | M108-V110 HydrophobicContact CB-CG1 3.88Å; M108-V110 HydrophobicContact CG-CG1 3.66Å; M108-V110 PolarHBondContact O-N 2.97Å; M108-V110 HydrophobicContact SD-CG1 3.55Å; M108-V110 VanDerWaalsContact SD-CG1 3.55Å | ||
| 111 | L | 59 | Low | 80.7 | Confident | 118 Ų | 118 | 76.1 Ų | 76.1 | 62% | 0.618 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -56.5 | 151.3 | 177.7 | -138.2 | 74.9 | 0 | 0 | 0 | 110.8 | N113 K114 | L111-N113 CarbonylContact O-C 3.59Å; L111-N113 PolarHBondContact O-N 3.5Å; L111-N113 VanDerWaalsContact O-N 3.08Å; L111-K114 PolarHBondContact O-N 3.44Å |
| 112 | N | 56.9 | Low | 80.6 | Confident | 152 Ų | 152 | 71 Ų | 71 | 81% | 0.813 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -35.2 | 113.4 | -172.1 | -76.8 | -6.9 | 0 | 0 | 0 | 112.3 | ||
| 113 | N | 63.7 | Low | 80.5 | Confident | 132 Ų | 132 | 78 Ų | 78 | 71% | 0.706 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 27.6 | -174.4 | -51.8 | -38.3 | 0 | 0 | 0 | 118 | F95 L111 F115 | F95-N113 WeakPolarHBondContact CD2-O 3.23Å; F95-N113 HydrophobicContact CE2-CB 4.41Å; F95-N113 WeakPolarHBondContact CE2-O 3.36Å; L111-N113 CarbonylContact O-C 3.59Å; L111-N113 PolarHBondContact O-N 3.5Å; L111-N113 VanDerWaalsContact O-N 3.08Å; N113-F115 PolarHBondContact O-N 3.12Å |
| 114 | K | 70.3 | Confident | 80.5 | Confident | 100 Ų | 100 | 75.2 Ų | 75.2 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 33.4 | 174.3 | -54.2 | 180 | -175.8 | 172.7 | 0 | 112.6 | F96 L111 | F96-K114 WeakPolarHBondContact CD2-O 3.39Å; F96-K114 PolarHBondContact N-O 2.9Å; F96-K114 WeakPolarHBondContact O-CB 3.48Å; F96-K114 VanDerWaalsContact O-CD 3.25Å; F96-K114 WeakPolarHBondContact O-CD 3.4Å; L111-K114 PolarHBondContact O-N 3.44Å |
| 115 | F | 80.9 | Confident | 80.7 | Confident | 70 Ų | 70 | 73.3 Ų | 73.3 | 31% | 0.307 | 37% | 0.367 | S | S | . | . | trans | -89.6 | 150.1 | -173.1 | -174.4 | -97 | 0 | 0 | 0 | 110.7 | D93 I109 N113 | D93-F115 HydrophobicContact CB-CE2 3.71Å; D93-F115 HydrophobicContact CB-CZ 3.65Å; I109-F115 WeakPolarHBondContact CG2-O 3.42Å; N113-F115 PolarHBondContact O-N 3.12Å | ||
| 116 | G | 87.7 | Confident | 81 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | 171.8 | 179.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | H94 | H94-G116 PolarHBondContact N-O 3.01Š| ||
| 117 | L | 89.3 | Confident | 81.2 | Confident | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.037 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 140.4 | -170.2 | -62.1 | 168.4 | 0 | 0 | 0 | 111 | F91 D93 N125 I126 Q131 | F91-L117 HydrophobicContact CB-CB 4.22Å; F91-L117 HydrophobicContact CB-CD2 4.42Å; F91-L117 HydrophobicContact CD1-CB 3.91Å; F91-L117 HydrophobicContact CG-CB 4.27Å; D93-L117 WeakPolarHBondContact OD1-CD2 3.46Å; L117-N125 CarbonylContact O-C 3.59Å; L117-N125 WeakPolarHBondContact O-CA 3.27Å; L117-I126 HydrophobicContact CB-CG1 3.82Å; L117-I126 HydrophobicContact CD1-CD1 4.34Å; L117-I126 HydrophobicContact CD1-CG1 4.32Å; L117-I126 PolarHBondContact N-O 3.5Å; L117-I126 PolarHBondContact O-N 2.59Å; L117-Q131 HydrophobicContact CD1-CB 3.84Å; L117-Q131 HydrophobicContact CD1-CG 4.26Å |
| 118 | R | 88.6 | Confident | 81.4 | Confident | 76 Ų | 76 | 65.9 Ų | 65.9 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 130.5 | 168.2 | 177.5 | 177.8 | -74.2 | 156.3 | 4.8 | 110.8 | K92 H94 K120 T124 N125 | K92-R118 PolarHBondContact N-O 2.71Å; K92-R118 PolarHBondContact O-N 2.77Å; H94-R118 HydrophobicContact CB-CB 3.88Å; H94-R118 PolarHBondContact CD2-NH1 3.4Å; H94-R118 PolarHBondContact CE1-NH1 3.36Å; H94-R118 PolarHBondContact NE2-NH1 3.47Å; R118-K120 PolarHBondContact O-N 2.92Å; R118-T124 WeakPolarHBondContact CA-O 3.34Å; R118-N125 PolarHBondContact NE-OD1 3.27Å; R118-N125 PolarHBondContact NH2-OD1 3.04Å |
| 119 | C | 88.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 126.3 | 172 | -173.7 | 0 | 0 | 0 | 0 | 111 | H89 K90 F91 N121 C122 K123 T124 | H89-C119 PolarHBondContact ND1-SG 3.12Å; K90-C119 WeakPolarHBondContact O-CA 3.25Å; F91-C119 HydrophobicContact CD1-CB 3.89Å; F91-C119 HydrophobicContact CE1-CB 3.71Å; F91-C119 HydrophobicContact CZ-CB 4.38Å; C119-N121 PolarHBondContact O-N 2.87Å; C119-C122 WeakPolarHBondContact CB-SG 3.49Å; C119-K123 VanDerWaalsContact O-CA 3.26Å; C119-K123 WeakPolarHBondContact O-CA 3.33Å; C119-K123 PolarHBondContact O-N 2.7Å; C119-T124 PolarHBondContact N-O 2.78Å |
| 120 | K | 86.9 | Confident | 81.5 | Confident | 144 Ų | 144 | 68.5 Ų | 68.5 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -33.4 | 177.3 | -66.2 | -179.8 | -176.2 | 172.6 | 0 | 112.7 | K90 R118 | K90-K120 PolarHBondContact O-N 3.02Å; R118-K120 PolarHBondContact O-N 2.92Å |
| 121 | N | 83.8 | Confident | 82.1 | Confident | 69 Ų | 69 | 67.4 Ų | 67.4 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -51 | -172.3 | -65.8 | -11.3 | 0 | 0 | 0 | 112.4 | C119 C139 G141 K142 | C119-N121 PolarHBondContact O-N 2.87Å; N121-C139 VanDerWaalsContact CB-SG 3.53Å; N121-G141 CarbonylContact O-C 3.53Å; N121-G141 WeakPolarHBondContact O-CA 3.15Å; N121-K142 PolarHBondContact O-N 3.38Å |
| 122 | C | 83.4 | Confident | 83.2 | Confident | 14 Ų | 14 | 65 Ų | 65 | 10% | 0.095 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -2.8 | -173.8 | 62.4 | 0 | 0 | 0 | 0 | 115.5 | H89 C119 T124 G141 | H89-C122 PolarHBondContact CE1-SG 3.02Å; H89-C122 PolarHBondContact ND1-SG 3.31Å; C119-C122 WeakPolarHBondContact CB-SG 3.49Å; C122-T124 PolarHBondContact O-N 3.05Å; C122-T124 PolarHBondContact SG-OG1 3.13Å; C122-G141 WeakPolarHBondContact CA-O 3.47Å; C122-G141 WeakPolarHBondContact CB-O 3.3Å |
| 123 | K | 84.9 | Confident | 84.3 | Confident | 149 Ų | 149 | 64.6 Ų | 64.6 | 65% | 0.648 | 30% | 0.304 | S | S | * | . | trans | 60.2 | 9.3 | -179.7 | -55.2 | -178.7 | 178.5 | 179.7 | 0 | 115.9 | C119 N125 | C119-K123 VanDerWaalsContact O-CA 3.26Å; C119-K123 WeakPolarHBondContact O-CA 3.33Å; C119-K123 PolarHBondContact O-N 2.7Å; K123-N125 PolarHBondContact O-ND2 2.84Å | ||
| 124 | T | 85.6 | Confident | 84.9 | Confident | 10 Ų | 10 | 58.7 Ų | 58.7 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | trans | -51.7 | 138.4 | 165.6 | -57.3 | 0 | 0 | 0 | 0 | 110.1 | D103 R118 C119 C122 I126 | D103-T124 HydrophobicContact CB-CG2 3.61Å; D103-T124 VanDerWaalsContact OD2-CA 3.24Å; D103-T124 WeakPolarHBondContact OD2-CA 3.38Å; D103-T124 WeakPolarHBondContact OD2-CG2 3.43Å; R118-T124 WeakPolarHBondContact CA-O 3.34Å; C119-T124 PolarHBondContact N-O 2.78Å; C122-T124 PolarHBondContact O-N 3.05Å; C122-T124 PolarHBondContact SG-OG1 3.13Å; T124-I126 HydrophobicContact CG2-CG2 4.05Å | ||
| 125 | N | 87.9 | Confident | 85.2 | Confident | 22 Ų | 22 | 59.6 Ų | 59.6 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.1 | -175.9 | -44.7 | -97 | 0 | 0 | 0 | 108 | F96 C102 D103 I109 L117 R118 K123 | F96-N125 HydrophobicContact CE1-CB 4.09Å; F96-N125 VanDerWaalsContact CE1-OD1 3.26Å; F96-N125 WeakPolarHBondContact CE1-OD1 3.5Å; F96-N125 HydrophobicContact CZ-CB 3.87Å; C102-N125 WeakPolarHBondContact CA-O 3.41Å; D103-N125 PolarHBondContact N-O 2.9Å; D103-N125 PolarHBondContact OD2-N 3.23Å; I109-N125 HydrophobicContact CD1-CB 4.08Å; L117-N125 CarbonylContact O-C 3.59Å; L117-N125 WeakPolarHBondContact O-CA 3.27Å; R118-N125 PolarHBondContact NE-OD1 3.27Å; R118-N125 PolarHBondContact NH2-OD1 3.04Å; K123-N125 PolarHBondContact O-ND2 2.84Å |
| 126 | I | 89.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 160.9 | -176.2 | 64.9 | 173.6 | 0 | 0 | 0 | 111.5 | F91 V104 L117 T124 C130 Q131 V134 | F91-I126 HydrophobicContact CD1-CD1 4.07Å; F91-I126 HydrophobicContact CD1-CG1 4.23Å; F91-I126 HydrophobicContact CD2-CD1 4.4Å; F91-I126 HydrophobicContact CE1-CD1 3.49Å; F91-I126 VanDerWaalsContact CE1-CD1 3.49Å; F91-I126 HydrophobicContact CE1-CG1 3.78Å; F91-I126 HydrophobicContact CE2-CD1 3.83Å; F91-I126 HydrophobicContact CZ-CD1 3.36Å; F91-I126 HydrophobicContact CZ-CG1 4.17Å; V104-I126 HydrophobicContact CG2-CB 4.5Å; V104-I126 HydrophobicContact CG2-CG2 3.69Å; L117-I126 HydrophobicContact CB-CG1 3.82Å; L117-I126 HydrophobicContact CD1-CD1 4.34Å; L117-I126 HydrophobicContact CD1-CG1 4.32Å; L117-I126 PolarHBondContact N-O 3.5Å; L117-I126 PolarHBondContact O-N 2.59Å; T124-I126 HydrophobicContact CG2-CG2 4.05Å; I126-C130 HydrophobicContact CB-CB 4.07Å; I126-Q131 HydrophobicContact CD1-CB 4.32Å; I126-V134 HydrophobicContact CD1-CG2 4.27Å |
| 127 | H | 89.2 | Confident | 84 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 13% | 0.125 | 33% | 0.326 | C | S | . | . | trans | -68.9 | 159.8 | 163.7 | -56.5 | 95.8 | 0 | 0 | 0 | 110.4 | C102 C105 M108 C130 | C102-H127 VanDerWaalsContact CB-CE1 3.42Å; C102-H127 WeakPolarHBondContact CB-CE1 3.37Å; C102-H127 WeakPolarHBondContact CB-ND1 3.31Å; C105-H127 PolarHBondContact SG-CE1 3Å; C105-H127 PolarHBondContact SG-ND1 3.45Å; C105-H127 VanDerWaalsContact SG-ND1 3.36Å; M108-H127 PolarHBondContact O-NE2 3.06Å; H127-C130 HydrophobicContact CB-CB 4.17Å; H127-C130 WeakPolarHBondContact O-CA 3.42Å; H127-C130 WeakPolarHBondContact O-CB 3.26Å; H127-C130 PolarHBondContact O-N 2.79Å | ||
| 128 | E | 86.9 | Confident | 83.5 | Confident | 117 Ų | 117 | 74 Ų | 74 | 55% | 0.547 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -58.4 | -54.6 | 176.1 | -170 | 171 | 171.8 | 0 | 0 | 112.2 | C130 Q131 | E128-C130 PolarHBondContact O-N 3.5Å; E128-Q131 VanDerWaalsContact O-CB 3.25Å; E128-Q131 WeakPolarHBondContact O-CB 3.44Å; E128-Q131 PolarHBondContact O-N 2.8Å |
| 129 | H | 86 | Confident | 83.3 | Confident | 124 Ų | 124 | 70.8 Ų | 70.8 | 57% | 0.574 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -59.4 | -15.1 | 172.3 | -175.8 | 95.3 | 0 | 0 | 0 | 113.9 | Q131 | H129-Q131 VanDerWaalsContact C-N 3.34Š|
| 130 | C | 87.4 | Confident | 82.6 | Confident | 11 Ų | 11 | 75.6 Ų | 75.6 | 7% | 0.074 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -85.5 | -0.9 | 174 | -71 | 0 | 0 | 0 | 0 | 113.6 | V104 I126 H127 E128 | V104-C130 HydrophobicContact CB-CB 4.15Å; V104-C130 HydrophobicContact CG1-CB 4.42Å; V104-C130 HydrophobicContact CG2-CB 4.29Å; I126-C130 HydrophobicContact CB-CB 4.07Å; H127-C130 HydrophobicContact CB-CB 4.17Å; H127-C130 WeakPolarHBondContact O-CA 3.42Å; H127-C130 WeakPolarHBondContact O-CB 3.26Å; H127-C130 PolarHBondContact O-N 2.79Å; E128-C130 PolarHBondContact O-N 3.5Å |
| 131 | Q | 86.6 | Confident | 82.4 | Confident | 74 Ų | 74 | 69.6 Ų | 69.6 | 35% | 0.346 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -64.3 | -48 | -178.1 | -178.6 | 173.2 | -48.8 | 0 | 0 | 113 | F91 L117 I126 E128 H129 Y133 V134 E135 | F91-Q131 HydrophobicContact CD2-CG 4.21Å; L117-Q131 HydrophobicContact CD1-CB 3.84Å; L117-Q131 HydrophobicContact CD1-CG 4.26Å; I126-Q131 HydrophobicContact CD1-CB 4.32Å; E128-Q131 VanDerWaalsContact O-CB 3.25Å; E128-Q131 WeakPolarHBondContact O-CB 3.44Å; E128-Q131 PolarHBondContact O-N 2.8Å; H129-Q131 VanDerWaalsContact C-N 3.34Å; Q131-Y133 VanDerWaalsContact C-N 3.27Å; Q131-Y133 PolarHBondContact O-N 2.87Å; Q131-V134 PolarHBondContact O-N 3.39Å; Q131-E135 PolarHBondContact O-N 2.9Å |
| 132 | S | 82.1 | Confident | 81.9 | Confident | 68 Ų | 68 | 75.5 Ų | 75.5 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -54.7 | -41.1 | -177.9 | 51.8 | 0 | 0 | 0 | 0 | 112.7 | V134 E135 | S132-V134 PolarHBondContact O-N 2.77Å; S132-V134 VanDerWaalsContact O-N 3.16Å; S132-E135 PolarHBondContact O-N 2.96Å |
| 133 | Y | 81 | Confident | 81 | Confident | 143 Ų | 143 | 77.4 Ų | 77.4 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.2 | -18.3 | 176.2 | -60.8 | -89.6 | 0 | 0 | 0 | 114.5 | V104 Q131 | V104-Y133 HydrophobicContact CG1-CG 4.4Å; Q131-Y133 VanDerWaalsContact C-N 3.27Å; Q131-Y133 PolarHBondContact O-N 2.87Å |
| 134 | V | 76.7 | Confident | 80 | Confident | 8 Ų | 8 | 74.7 Ų | 74.7 | 5% | 0.048 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -111.6 | -12.2 | -177.5 | -168.3 | 0 | 0 | 0 | 0 | 112.3 | H89 F91 V104 I126 Q131 S132 M136 Q137 | H89-V134 HydrophobicContact CB-CG1 4.5Å; F91-V134 HydrophobicContact CE2-CB 4.19Å; F91-V134 HydrophobicContact CE2-CG1 4.1Å; F91-V134 HydrophobicContact CZ-CB 4.13Å; F91-V134 HydrophobicContact CZ-CG1 3.79Å; V104-V134 HydrophobicContact CG2-CG2 3.21Å; I126-V134 HydrophobicContact CD1-CG2 4.27Å; Q131-V134 PolarHBondContact O-N 3.39Å; S132-V134 PolarHBondContact O-N 2.77Å; S132-V134 VanDerWaalsContact O-N 3.16Å; V134-M136 VanDerWaalsContact C-N 3.3Å; V134-M136 PolarHBondContact O-N 2.87Å; V134-Q137 HydrophobicContact CG1-CB 4.17Å; V134-Q137 WeakPolarHBondContact O-CB 3.21Å; V134-Q137 PolarHBondContact O-N 2.87Å |
| 135 | E | 75.1 | Confident | 78.3 | Confident | 118 Ų | 118 | 80.9 Ų | 80.9 | 55% | 0.551 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.4 | -41 | 178 | -173.9 | 153.2 | -139.7 | 0 | 0 | 112.3 | N85 Q131 S132 Q137 | N85-E135 PolarHBondContact ND2-O 3.47Å; Q131-E135 PolarHBondContact O-N 2.9Å; S132-E135 PolarHBondContact O-N 2.96Å; E135-Q137 VanDerWaalsContact C-N 3.29Å; E135-Q137 PolarHBondContact O-N 2.79Å |
| 136 | M | 68.4 | Low | 77 | Confident | 161 Ų | 161 | 83.7 Ų | 83.7 | 79% | 0.793 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -2.4 | 175.1 | -58.7 | 176.5 | -177.7 | 0 | 0 | 113.7 | V134 | V134-M136 VanDerWaalsContact C-N 3.3Å; V134-M136 PolarHBondContact O-N 2.87Å |
| 137 | Q | 76.3 | Confident | 75.5 | Confident | 110 Ų | 110 | 90.8 Ų | 90.8 | 51% | 0.514 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -96.1 | 133.1 | -176.8 | -64 | -66 | -35.6 | 0 | 0 | 111.7 | N85 H89 V134 E135 C139 | N85-Q137 VanDerWaalsContact ND2-C 3.25Å; N85-Q137 PolarHBondContact ND2-O 3.35Å; H89-Q137 PolarHBondContact CD2-O 3.01Å; V134-Q137 HydrophobicContact CG1-CB 4.17Å; V134-Q137 WeakPolarHBondContact O-CB 3.21Å; V134-Q137 PolarHBondContact O-N 2.87Å; E135-Q137 VanDerWaalsContact C-N 3.29Å; E135-Q137 PolarHBondContact O-N 2.79Å; Q137-C139 PolarHBondContact O-N 3.02Å |
| 138 | R | 78.9 | Confident | 74 | Confident | 109 Ų | 109 | 100.5 Ų | 100.5 | 41% | 0.411 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 128.3 | -179.2 | -168.8 | -177.7 | -178.3 | 100.8 | -12.3 | 111.5 | N85 D86 K87 F140 | N85-R138 WeakPolarHBondContact OD1-CA 3.35Å; D86-R138 IonicContact OD2-CZ 3.94Å; D86-R138 IonicContact OD2-NH1 2.7Å; D86-R138 PolarHBondContact OD2-NH1 3.14Å; K87-R138 HydrophobicContact CB-CG 4.21Å; R138-F140 HydrophobicContact CB-CE2 4.24Å; R138-F140 WeakPolarHBondContact O-CD2 2.87Å; R138-F140 WeakPolarHBondContact O-CE2 3.48Å; R138-F140 PolarHBondContact O-N 2.93Å |
| 139 | C | 83.2 | Confident | 72.6 | Confident | 8 Ų | 8 | 98.9 Ų | 98.9 | 5% | 0.054 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 118.1 | 173.8 | -171.4 | 0 | 0 | 0 | 0 | 111.5 | K87 H89 N121 Q137 | K87-C139 WeakPolarHBondContact O-CB 3.41Å; K87-C139 PolarHBondContact O-N 2.98Å; H89-C139 HydrophobicContact CB-CB 4.46Å; H89-C139 WeakPolarHBondContact NE2-CA 3.48Å; N121-C139 VanDerWaalsContact CB-SG 3.53Å; Q137-C139 PolarHBondContact O-N 3.02Å |
| 140 | F | 75.4 | Confident | 70.6 | Confident | 102 Ų | 102 | 96.1 Ų | 96.1 | 45% | 0.447 | 49% | 0.491 | S | S | . | . | trans | -91 | 4.1 | -177.4 | -66.2 | -104.7 | 0 | 0 | 0 | 114.6 | R138 R149 L155 | R138-F140 HydrophobicContact CB-CE2 4.24Å; R138-F140 WeakPolarHBondContact O-CD2 2.87Å; R138-F140 WeakPolarHBondContact O-CE2 3.48Å; R138-F140 PolarHBondContact O-N 2.93Å; F140-R149 VanDerWaalsContact CB-NH2 3.27Å; F140-R149 VanDerWaalsContact CD2-CZ 3.47Å; F140-L155 HydrophobicContact CE1-CD1 4.42Å; F140-L155 HydrophobicContact CZ-CD1 4.06Å | ||
| 141 | G | 81.3 | Confident | 69.1 | Low | 18 Ų | 18 | 102.1 Ų | 102.1 | 19% | 0.186 | 51% | 0.513 | C | S | . | . | trans | 66.7 | -153.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | N121 C122 I143 | N121-G141 CarbonylContact O-C 3.53Å; N121-G141 WeakPolarHBondContact O-CA 3.15Å; C122-G141 WeakPolarHBondContact CA-O 3.47Å; C122-G141 WeakPolarHBondContact CB-O 3.3Å; G141-I143 PolarHBondContact O-N 2.95Å | ||
| 142 | K | 73.5 | Confident | 66.9 | Low | 192 Ų | 192 | 103.5 Ų | 103.5 | 84% | 0.835 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -65.8 | 103.1 | -176.5 | -67.5 | 176.3 | -174.6 | 173.3 | 0 | 110.3 | N121 | N121-K142 PolarHBondContact O-N 3.38Š|
| 143 | I | 65.1 | Low | 64.8 | Low | 55 Ų | 55 | 104.5 Ų | 104.5 | 28% | 0.282 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 134.6 | 175.2 | -50.3 | 167.1 | 0 | 0 | 0 | 109.1 | G141 F147 R149 | G141-I143 PolarHBondContact O-N 2.95Å; I143-F147 HydrophobicContact CG2-CB 3.84Å; I143-F147 HydrophobicContact CG2-CD1 4.17Å; I143-F147 HydrophobicContact CG2-CG 4.49Å; I143-F147 WeakPolarHBondContact CG2-O 3.43Å; I143-R149 HydrophobicContact CD1-CG 4.08Å |
| 144 | P | 63.6 | Low | 62.9 | Low | 92 Ų | 92 | 103.3 Ų | 103.3 | 60% | 0.597 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 143.6 | 176.7 | -26.8 | 35.5 | 0 | 0 | 0 | 112.8 | G146 F147 | P144-G146 PolarHBondContact O-N 3.06Å; P144-F147 PolarHBondContact O-N 3.29Å; P144-F147 VanDerWaalsContact O-N 3.17Å |
| 145 | P | 50.8 | Low | 61.2 | Low | 139 Ų | 139 | 109.7 Ų | 109.7 | 90% | 0.903 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 122.5 | 178.7 | 26.1 | -33.6 | 0 | 0 | 0 | 110.4 | ||
| 146 | G | 58.8 | Low | 59.1 | Low | 81 Ų | 81 | 114.5 Ų | 114.5 | 84% | 0.835 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.6 | -33.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P144 R148 | P144-G146 PolarHBondContact O-N 3.06Å; G146-R148 PolarHBondContact O-N 3.08Å |
| 147 | F | 58.5 | Low | 57.6 | Low | 150 Ų | 150 | 111.6 Ų | 111.6 | 66% | 0.658 | 59% | 0.591 | S | S | * | * | trans | -86.2 | 75.3 | -177.9 | -153.8 | -95.6 | 0 | 0 | 0 | 111.4 | I143 P144 | I143-F147 HydrophobicContact CG2-CB 3.84Å; I143-F147 HydrophobicContact CG2-CD1 4.17Å; I143-F147 HydrophobicContact CG2-CG 4.49Å; I143-F147 WeakPolarHBondContact CG2-O 3.43Å; P144-F147 PolarHBondContact O-N 3.29Å; P144-F147 VanDerWaalsContact O-N 3.17Å | ||
| 148 | R | 58.6 | Low | 55.6 | Low | 231 Ų | 231 | 111.3 Ų | 111.3 | 87% | 0.872 | 59% | 0.593 | S | S | * | * | trans | -71.5 | 130.2 | 170.4 | -73.1 | -127.8 | -73.5 | -94 | 2.6 | 109.6 | G146 A150 | G146-R148 PolarHBondContact O-N 3.08Å; R148-A150 PolarHBondContact O-N 3.29Å | ||
| 149 | R | 56.8 | Low | 53.8 | Low | 82 Ų | 82 | 114.8 Ų | 114.8 | 31% | 0.309 | 61% | 0.614 | S | S | . | * | trans | -69.4 | 98.9 | 173.9 | -72.6 | 176.2 | 174.1 | -121.1 | -26.5 | 110.2 | F140 I143 Y151 | F140-R149 VanDerWaalsContact CB-NH2 3.27Å; F140-R149 VanDerWaalsContact CD2-CZ 3.47Å; I143-R149 HydrophobicContact CD1-CG 4.08Å; R149-Y151 HydrophobicContact CB-CD2 3.93Å; R149-Y151 HydrophobicContact CB-CE2 3.69Å; R149-Y151 HydrophobicContact CG-CE2 4.48Å; R149-Y151 PolarHBondContact O-N 2.76Å | ||
| 150 | A | 44.6 | Very low | 51.9 | Low | 67 Ų | 67 | 122 Ų | 122 | 55% | 0.554 | 65% | 0.646 | S | S | * | * | trans | -74.4 | 111.2 | 152.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | R148 S152 | R148-A150 PolarHBondContact O-N 3.29Å; A150-S152 PolarHBondContact O-N 2.95Å | ||
| 151 | Y | 55.2 | Low | 50.3 | Low | 136 Ų | 136 | 126.6 Ų | 126.6 | 53% | 0.533 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.3 | 18.6 | 179.5 | -85.3 | -93.5 | 0 | 0 | 0 | 113.5 | R149 | R149-Y151 HydrophobicContact CB-CD2 3.93Å; R149-Y151 HydrophobicContact CB-CE2 3.69Å; R149-Y151 HydrophobicContact CG-CE2 4.48Å; R149-Y151 PolarHBondContact O-N 2.76Å |
| 152 | S | 40.3 | Very low | 48.2 | Very low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 1.7 | -178.3 | 59.2 | 0 | 0 | 0 | 0 | 114.4 | A150 | A150-S152 PolarHBondContact O-N 2.95Š|
| 153 | S | 38.2 | Very low | 46.7 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 62% | 0.622 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -112.1 | 120.9 | 177.7 | -61.5 | 0 | 0 | 0 | 0 | 110.8 | L155 | S153-L155 PolarHBondContact O-N 3.36Š|
| 154 | P | 42.1 | Very low | 45.4 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | trans | -57.5 | 135.8 | 167.5 | -20.2 | 32.1 | 0 | 0 | 0 | 109.6 | Y156 | P154-Y156 PolarHBondContact O-N 2.92Š| ||
| 155 | L | 39.7 | Very low | 44.2 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | trans | -69.4 | 101.3 | 170.5 | -69 | 177.9 | 0 | 0 | 0 | 108.2 | F140 S153 S157 | F140-L155 HydrophobicContact CE1-CD1 4.42Å; F140-L155 HydrophobicContact CZ-CD1 4.06Å; S153-L155 PolarHBondContact O-N 3.36Å; L155-S157 PolarHBondContact O-N 2.81Å; L155-S157 VanDerWaalsContact O-N 3.09Å | ||
| 156 | Y | 31.5 | Very low | 43.5 | Very low | 219 Ų | 219 | 135.1 Ų | 135.1 | 86% | 0.859 | 72% | 0.719 | S | S | * | * | trans | -57.7 | 115 | 168.1 | -143.4 | -92.7 | 0 | 0 | 0 | 107.5 | P154 N158 | P154-Y156 PolarHBondContact O-N 2.92Å; Y156-N158 PolarHBondContact O-N 2.83Å | ||
| 157 | S | 37.6 | Very low | 42.3 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | trans | -64.5 | 111.6 | 174.5 | -176.1 | 0 | 0 | 0 | 0 | 107.5 | L155 | L155-S157 PolarHBondContact O-N 2.81Å; L155-S157 VanDerWaalsContact O-N 3.09Å | ||
| 158 | N | 35 | Very low | 41.2 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 55% | 0.551 | 73% | 0.732 | S | S | * | * | trans | -110.3 | 85.6 | 172.7 | -160.4 | -2.3 | 0 | 0 | 0 | 110.3 | Y156 Q160 | Y156-N158 PolarHBondContact O-N 2.83Å; N158-Q160 PolarHBondContact ND2-O 3.31Å; N158-Q160 PolarHBondContact O-N 2.84Å; N158-Q160 VanDerWaalsContact OD1-C 3.28Å; N158-Q160 WeakPolarHBondContact OD1-CA 3.28Å; N158-Q160 WeakPolarHBondContact OD1-CB 3.37Å; N158-Q160 PolarHBondContact OD1-N 2.85Å; N158-Q160 PolarHBondContact OD1-O 2.96Å | ||
| 159 | Q | 39.2 | Very low | 40.1 | Very low | 183 Ų | 183 | 131 Ų | 131 | 86% | 0.855 | 72% | 0.723 | S | S | * | * | trans | -78.4 | 10.9 | 169.6 | -163.6 | 157.4 | 8.1 | 0 | 0 | 112.3 | ||||
| 160 | Q | 44.8 | Very low | 39.7 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | -126.3 | 78.1 | 176.7 | -64.9 | -179.9 | -22 | 0 | 0 | 110.3 | N158 | N158-Q160 PolarHBondContact ND2-O 3.31Å; N158-Q160 PolarHBondContact O-N 2.84Å; N158-Q160 VanDerWaalsContact OD1-C 3.28Å; N158-Q160 WeakPolarHBondContact OD1-CA 3.28Å; N158-Q160 WeakPolarHBondContact OD1-CB 3.37Å; N158-Q160 PolarHBondContact OD1-N 2.85Å; N158-Q160 PolarHBondContact OD1-O 2.96Å | ||
| 161 | Y | 40.9 | Very low | 39.6 | Very low | 199 Ų | 199 | 135.9 Ų | 135.9 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | -171.6 | 52.3 | 143.5 | -93.6 | -59.6 | 0 | 0 | 0 | 110.4 | C163 | Y161-C163 PolarHBondContact O-N 3.09Š| ||
| 162 | A | 37.7 | Very low | 39.6 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | trans | -88.1 | 39.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 163 | C | 41.4 | Very low | 40.1 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | trans | -159 | 87.5 | 173.9 | -171.6 | 0 | 0 | 0 | 0 | 110.5 | Y161 | Y161-C163 PolarHBondContact O-N 3.09Š| ||
| 164 | V | 37.8 | Very low | 41.7 | Very low | 137 Ų | 137 | 141 Ų | 141 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | -173.5 | 83.2 | 138.6 | -93.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 165 | K | 38.4 | Very low | 43.1 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 81% | 0.809 | 76% | 0.757 | S | S | * | * | trans | -94.3 | 151.9 | 154.1 | -162.4 | 174.3 | 176.8 | -174.1 | 0 | 106.8 | ||||
| 166 | D | 36.8 | Very low | 44.7 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | 74.2 | 91.8 | 178.8 | -49.2 | -40.8 | 0 | 0 | 0 | 115.5 | ||||
| 167 | L | 32.4 | Very low | 46.6 | Very low | 168 Ų | 168 | 133 Ų | 133 | 88% | 0.88 | 73% | 0.733 | S | S | * | * | trans | -166.9 | 90.8 | 130.6 | -103.1 | 162.6 | 0 | 0 | 0 | 110 | A169 | L167-A169 PolarHBondContact O-N 3.45Š| ||
| 168 | S | 35.8 | Very low | 48.2 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 90% | 0.895 | 71% | 0.714 | S | S | * | * | trans | -84.2 | 88.9 | 165.3 | 59.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 169 | A | 36.9 | Very low | 50.2 | Low | 81 Ų | 81 | 131.2 Ų | 131.2 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | trans | -152.6 | 145.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L167 N171 | L167-A169 PolarHBondContact O-N 3.45Å; A169-N171 PolarHBondContact O-N 2.98Å | ||
| 170 | A | 47.8 | Very low | 52 | Low | 106 Ų | 106 | 127.9 Ų | 127.9 | 88% | 0.876 | 71% | 0.705 | S | S | * | * | trans | -60 | 127.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 171 | N | 41.7 | Very low | 53.8 | Low | 144 Ų | 144 | 124.6 Ų | 124.6 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | trans | -145.5 | 141.7 | 153.1 | -144.9 | -35.6 | 0 | 0 | 0 | 112.1 | A169 | A169-N171 PolarHBondContact O-N 2.98Š| ||
| 172 | R | 55.1 | Low | 55.7 | Low | 230 Ų | 230 | 118.4 Ų | 118.4 | 87% | 0.868 | 67% | 0.669 | S | S | * | * | trans | -100.4 | 29.4 | -163.2 | -94.1 | -142 | 174.8 | -162.6 | 0.6 | 114.2 | ||||
| 173 | N | 51.5 | Low | 57.8 | Low | 123 Ų | 123 | 114.9 Ų | 114.9 | 66% | 0.658 | 64% | 0.643 | S | S | * | * | trans | -135.9 | 71.8 | -173.4 | -68.7 | -61.8 | 0 | 0 | 0 | 112.7 | ||||
| 174 | D | 70.9 | Confident | 59.5 | Low | 83 Ų | 83 | 114.1 Ų | 114.1 | 44% | 0.444 | 64% | 0.635 | S | S | . | * | trans | -85.9 | 118.6 | 158.9 | 167.6 | 8.1 | 0 | 0 | 0 | 108.1 | V176 F177 E178 | D174-V176 PolarHBondContact O-N 3.15Å; D174-V176 WeakPolarHBondContact OD1-CB 3.34Å; D174-V176 PolarHBondContact OD1-N 3.09Å; D174-F177 HydrophobicContact CB-CB 3.8Å; D174-F177 PolarHBondContact O-N 3.32Å; D174-F177 VanDerWaalsContact O-N 3.13Å; D174-E178 PolarHBondContact O-N 2.7Å | ||
| 175 | P | 72.1 | Confident | 61.4 | Low | 95 Ų | 95 | 112.5 Ų | 112.5 | 62% | 0.617 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -62.9 | -27 | -178.7 | 26.1 | -34.6 | 0 | 0 | 0 | 113.2 | T179 | P175-T179 WeakPolarHBondContact O-CB 3.35Å; P175-T179 PolarHBondContact O-N 2.79Å; P175-T179 PolarHBondContact O-OG1 2.85Å |
| 176 | V | 73.9 | Confident | 62.9 | Low | 91 Ų | 91 | 109.3 Ų | 109.3 | 55% | 0.552 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.4 | -45.3 | 174.2 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | D174 E178 T179 L180 | D174-V176 PolarHBondContact O-N 3.15Å; D174-V176 WeakPolarHBondContact OD1-CB 3.34Å; D174-V176 PolarHBondContact OD1-N 3.09Å; V176-E178 VanDerWaalsContact C-N 3.33Å; V176-E178 PolarHBondContact O-N 3.06Å; V176-T179 PolarHBondContact O-N 3.32Å; V176-L180 HydrophobicContact CG1-CD1 4.06Å; V176-L180 WeakPolarHBondContact O-CB 3.41Å; V176-L180 VanDerWaalsContact O-CG 3.27Å; V176-L180 WeakPolarHBondContact O-CG 3.38Å; V176-L180 PolarHBondContact O-N 2.88Å |
| 177 | F | 70.6 | Confident | 64.4 | Low | 126 Ų | 126 | 104.4 Ų | 104.4 | 55% | 0.553 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.8 | -33.9 | 176.2 | -168.1 | -105.5 | 0 | 0 | 0 | 112.9 | D174 R181 | D174-F177 HydrophobicContact CB-CB 3.8Å; D174-F177 PolarHBondContact O-N 3.32Å; D174-F177 VanDerWaalsContact O-N 3.13Å; F177-R181 VanDerWaalsContact CD1-NH2 3.32Å; F177-R181 WeakPolarHBondContact O-CB 3.45Å; F177-R181 PolarHBondContact O-N 2.71Å |
| 178 | E | 70.7 | Confident | 66.1 | Low | 65 Ų | 65 | 100.1 Ų | 100.1 | 30% | 0.304 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.8 | -49.4 | 172.7 | -160 | 59.9 | -136.2 | 0 | 0 | 111.2 | D174 V176 L180 R181 V182 | D174-E178 PolarHBondContact O-N 2.7Å; V176-E178 VanDerWaalsContact C-N 3.33Å; V176-E178 PolarHBondContact O-N 3.06Å; E178-L180 VanDerWaalsContact C-N 3.35Å; E178-L180 PolarHBondContact O-N 2.65Å; E178-R181 PolarHBondContact O-N 3.28Å; E178-R181 VanDerWaalsContact O-N 3.12Å; E178-R181 IonicContact OE1-CZ 2.88Å; E178-R181 IonicContact OE1-NH1 3.06Å; E178-R181 PolarHBondContact OE1-NH1 2.94Å; E178-R181 IonicContact OE1-NH2 3.05Å; E178-R181 IonicContact OE2-CZ 3.56Å; E178-R181 IonicContact OE2-NH1 2.77Å; E178-R181 PolarHBondContact OE2-NH1 2.98Å; E178-R181 IonicContact OE2-NH2 2.71Å; E178-R181 PolarHBondContact OE2-NH2 3.46Å; E178-V182 WeakPolarHBondContact O-CG2 3.27Å; E178-V182 PolarHBondContact O-N 2.84Å |
| 179 | T | 78 | Confident | 67.7 | Low | 101 Ų | 101 | 101.7 Ų | 101.7 | 62% | 0.62 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -58.9 | -44.5 | 177.6 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | P175 V176 R181 V182 G183 | P175-T179 WeakPolarHBondContact O-CB 3.35Å; P175-T179 PolarHBondContact O-N 2.79Å; P175-T179 PolarHBondContact O-OG1 2.85Å; V176-T179 PolarHBondContact O-N 3.32Å; T179-R181 PolarHBondContact O-N 2.94Å; T179-V182 PolarHBondContact O-N 3.06Å; T179-G183 PolarHBondContact O-N 3.12Å |
| 180 | L | 77.6 | Confident | 68.7 | Low | 112 Ų | 112 | 104.9 Ų | 104.9 | 59% | 0.586 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.2 | -40.6 | 175.6 | -72.6 | 169.6 | 0 | 0 | 0 | 112 | V176 E178 G183 V184 | V176-L180 HydrophobicContact CG1-CD1 4.06Å; V176-L180 WeakPolarHBondContact O-CB 3.41Å; V176-L180 VanDerWaalsContact O-CG 3.27Å; V176-L180 WeakPolarHBondContact O-CG 3.38Å; V176-L180 PolarHBondContact O-N 2.88Å; E178-L180 VanDerWaalsContact C-N 3.35Å; E178-L180 PolarHBondContact O-N 2.65Å; L180-G183 PolarHBondContact O-N 2.78Å; L180-V184 WeakPolarHBondContact O-CG2 3.18Å; L180-V184 PolarHBondContact O-N 2.87Å |
| 181 | R | 82.3 | Confident | 69.2 | Low | 90 Ų | 90 | 108.2 Ų | 108.2 | 34% | 0.34 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 177.6 | -162.4 | -168.1 | -45.9 | 128.8 | 18.7 | 111.7 | F177 E178 T179 V184 I185 | F177-R181 VanDerWaalsContact CD1-NH2 3.32Å; F177-R181 WeakPolarHBondContact O-CB 3.45Å; F177-R181 PolarHBondContact O-N 2.71Å; E178-R181 PolarHBondContact O-N 3.28Å; E178-R181 VanDerWaalsContact O-N 3.12Å; E178-R181 IonicContact OE1-CZ 2.88Å; E178-R181 IonicContact OE1-NH1 3.06Å; E178-R181 PolarHBondContact OE1-NH1 2.94Å; E178-R181 IonicContact OE1-NH2 3.05Å; E178-R181 IonicContact OE2-CZ 3.56Å; E178-R181 IonicContact OE2-NH1 2.77Å; E178-R181 PolarHBondContact OE2-NH1 2.98Å; E178-R181 IonicContact OE2-NH2 2.71Å; E178-R181 PolarHBondContact OE2-NH2 3.46Å; T179-R181 PolarHBondContact O-N 2.94Å; R181-V184 PolarHBondContact O-N 3.13Å; R181-I185 HydrophobicContact CG-CD1 4Å; R181-I185 WeakPolarHBondContact O-CB 3.41Å; R181-I185 VanDerWaalsContact O-CG1 3.25Å; R181-I185 WeakPolarHBondContact O-CG1 3.41Å; R181-I185 PolarHBondContact O-N 3Å |
| 182 | V | 80.7 | Confident | 69.8 | Low | 69 Ų | 69 | 109.6 Ų | 109.6 | 42% | 0.418 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 176 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | E178 T179 V184 I185 M186 | E178-V182 WeakPolarHBondContact O-CG2 3.27Å; E178-V182 PolarHBondContact O-N 2.84Å; T179-V182 PolarHBondContact O-N 3.06Å; V182-V184 PolarHBondContact O-N 2.79Å; V182-I185 PolarHBondContact O-N 3.45Å; V182-M186 HydrophobicContact CG1-SD 4.05Å; V182-M186 WeakPolarHBondContact O-CG 3.49Å; V182-M186 PolarHBondContact O-N 2.96Å |
| 183 | G | 80.9 | Confident | 69.7 | Low | 37 Ų | 37 | 107.4 Ų | 107.4 | 38% | 0.381 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T179 L180 M186 A187 | T179-G183 PolarHBondContact O-N 3.12Å; L180-G183 PolarHBondContact O-N 2.78Å; G183-M186 PolarHBondContact O-N 3.06Å; G183-A187 WeakPolarHBondContact O-CB 3.43Å; G183-A187 PolarHBondContact O-N 3.04Å |
| 184 | V | 77.3 | Confident | 69.6 | Low | 87 Ų | 87 | 104.9 Ų | 104.9 | 53% | 0.527 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66 | -39 | 175.7 | 169.8 | 0 | 0 | 0 | 0 | 112 | L180 R181 V182 N188 | L180-V184 WeakPolarHBondContact O-CG2 3.18Å; L180-V184 PolarHBondContact O-N 2.87Å; R181-V184 PolarHBondContact O-N 3.13Å; V182-V184 PolarHBondContact O-N 2.79Å; V184-N188 WeakPolarHBondContact O-CB 3.39Å; V184-N188 PolarHBondContact O-N 3.32Å; V184-N188 VanDerWaalsContact O-N 3.11Å; V184-N188 PolarHBondContact O-ND2 3.37Å |
| 185 | I | 77.3 | Confident | 68.5 | Low | 103 Ų | 103 | 109 Ų | 109 | 53% | 0.528 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65 | -44.2 | 176 | -70.6 | 165.4 | 0 | 0 | 0 | 110.6 | R181 V182 N188 K189 | R181-I185 HydrophobicContact CG-CD1 4Å; R181-I185 WeakPolarHBondContact O-CB 3.41Å; R181-I185 VanDerWaalsContact O-CG1 3.25Å; R181-I185 WeakPolarHBondContact O-CG1 3.41Å; R181-I185 PolarHBondContact O-N 3Å; V182-I185 PolarHBondContact O-N 3.45Å; I185-N188 PolarHBondContact O-N 2.83Å; I185-K189 WeakPolarHBondContact O-CB 3.42Å; I185-K189 PolarHBondContact O-N 3.02Å |
| 186 | M | 71.6 | Confident | 67.2 | Low | 118 Ų | 118 | 107.9 Ų | 107.9 | 58% | 0.581 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.3 | -51.5 | 176.5 | -75.4 | 175.7 | 55 | 0 | 0 | 111.9 | V182 G183 N188 K189 E190 | V182-M186 HydrophobicContact CG1-SD 4.05Å; V182-M186 WeakPolarHBondContact O-CG 3.49Å; V182-M186 PolarHBondContact O-N 2.96Å; G183-M186 PolarHBondContact O-N 3.06Å; M186-N188 VanDerWaalsContact C-N 3.28Å; M186-N188 PolarHBondContact O-N 3.02Å; M186-K189 WeakPolarHBondContact O-CB 3.48Å; M186-K189 PolarHBondContact O-N 3.17Å; M186-E190 PolarHBondContact O-N 3.2Å |
| 187 | A | 67.5 | Low | 66 | Low | 35 Ų | 35 | 110.6 Ų | 110.6 | 29% | 0.289 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.2 | -34.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G183 R191 | G183-A187 WeakPolarHBondContact O-CB 3.43Å; G183-A187 PolarHBondContact O-N 3.04Å; A187-R191 WeakPolarHBondContact O-CG 3.44Å; A187-R191 PolarHBondContact O-N 2.95Å |
| 188 | N | 67.2 | Low | 65 | Low | 79 Ų | 79 | 114.2 Ų | 114.2 | 42% | 0.422 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -79.3 | -26.5 | 175.8 | -70.8 | -26 | 0 | 0 | 0 | 113 | V184 I185 M186 R191 K192 | V184-N188 WeakPolarHBondContact O-CB 3.39Å; V184-N188 PolarHBondContact O-N 3.32Å; V184-N188 VanDerWaalsContact O-N 3.11Å; V184-N188 PolarHBondContact O-ND2 3.37Å; I185-N188 PolarHBondContact O-N 2.83Å; M186-N188 VanDerWaalsContact C-N 3.28Å; M186-N188 PolarHBondContact O-N 3.02Å; N188-R191 PolarHBondContact OD1-NH1 3.45Å; N188-R191 VanDerWaalsContact OD1-NH1 3.08Å; N188-K192 PolarHBondContact O-N 3.38Å; N188-K192 VanDerWaalsContact O-N 3.12Å |
| 189 | K | 69.9 | Low | 63.4 | Low | 160 Ų | 160 | 120.6 Ų | 120.6 | 70% | 0.696 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.8 | -39.3 | 171.3 | -174.3 | 175.9 | 178.4 | 179.4 | 0 | 111.5 | I185 M186 K192 K193 | I185-K189 WeakPolarHBondContact O-CB 3.42Å; I185-K189 PolarHBondContact O-N 3.02Å; M186-K189 WeakPolarHBondContact O-CB 3.48Å; M186-K189 PolarHBondContact O-N 3.17Å; K189-K192 PolarHBondContact O-N 3.02Å; K189-K193 PolarHBondContact O-N 2.84Å; K189-K193 VanDerWaalsContact O-N 3.15Å |
| 190 | E | 58.7 | Low | 61.5 | Low | 149 Ų | 149 | 122.6 Ų | 122.6 | 70% | 0.696 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63 | -44.8 | 173.2 | -69 | -174.1 | 136.7 | 0 | 0 | 111.8 | M186 K192 K193 | M186-E190 PolarHBondContact O-N 3.2Å; E190-K192 VanDerWaalsContact C-N 3.3Å; E190-K192 PolarHBondContact O-N 3.45Å; E190-K193 PolarHBondContact O-N 2.82Å; E190-K193 VanDerWaalsContact O-N 3.1Å |
| 191 | R | 58 | Low | 59.5 | Low | 175 Ų | 175 | 122.8 Ų | 122.8 | 66% | 0.66 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -60.5 | -35 | 175.3 | -70.9 | 173.8 | -178.4 | 137 | 1.8 | 113.5 | A187 N188 | A187-R191 WeakPolarHBondContact O-CG 3.44Å; A187-R191 PolarHBondContact O-N 2.95Å; N188-R191 PolarHBondContact OD1-NH1 3.45Å; N188-R191 VanDerWaalsContact OD1-NH1 3.08Å |
| 192 | K | 54.6 | Low | 57.2 | Low | 174 Ų | 174 | 126 Ų | 126 | 76% | 0.757 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -75.9 | -21.8 | 175 | -88.9 | -164.7 | 170.4 | -171.5 | 0 | 114.4 | N188 K189 E190 G194 | N188-K192 PolarHBondContact O-N 3.38Å; N188-K192 VanDerWaalsContact O-N 3.12Å; K189-K192 PolarHBondContact O-N 3.02Å; E190-K192 VanDerWaalsContact C-N 3.3Å; E190-K192 PolarHBondContact O-N 3.45Å; K192-G194 VanDerWaalsContact C-N 3.32Å |
| 193 | K | 52.6 | Low | 54.8 | Low | 184 Ų | 184 | 127.8 Ų | 127.8 | 80% | 0.8 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -74.3 | -22.8 | 176.9 | -160.8 | 178.2 | 179.3 | -172 | 0 | 112.7 | K189 E190 | K189-K193 PolarHBondContact O-N 2.84Å; K189-K193 VanDerWaalsContact O-N 3.15Å; E190-K193 PolarHBondContact O-N 2.82Å; E190-K193 VanDerWaalsContact O-N 3.1Å |
| 194 | G | 49.5 | Very low | 52.7 | Low | 70 Ų | 70 | 130.4 Ų | 130.4 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 7.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | K192 | K192-G194 VanDerWaalsContact C-N 3.32Š|
| 195 | Q | 48.5 | Very low | 50.4 | Low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -123.5 | 16.9 | -174.4 | -153.1 | 173.1 | 60 | 0 | 0 | 113.7 | ||
| 196 | A | 43.2 | Very low | 48.3 | Very low | 70 Ų | 70 | 137 Ų | 137 | 58% | 0.579 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -86.7 | -23.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 197 | D | 50.3 | Low | 46.4 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -95.9 | 10.2 | -164.5 | -61.7 | -64.3 | 0 | 0 | 0 | 116 | ||
| 198 | K | 47.7 | Very low | 44.6 | Very low | 203 Ų | 203 | 147.3 Ų | 147.3 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | -137.3 | 76.8 | 174.1 | -70.2 | -170.8 | 178.4 | 179.1 | 0 | 112.5 | ||||
| 199 | K | 37.9 | Very low | 42.9 | Very low | 198 Ų | 198 | 152.1 Ų | 152.1 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -80.2 | 122.6 | 160.1 | -72.3 | -177.1 | 177.7 | 179 | 0 | 109.5 | ||||
| 200 | N | 37.3 | Very low | 41.5 | Very low | 144 Ų | 144 | 149.7 Ų | 149.7 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -78.6 | 125.1 | 165.1 | -179.1 | 30.3 | 0 | 0 | 0 | 109.3 | ||||
| 201 | P | 36.8 | Very low | 39.9 | Very low | 116 Ų | 116 | 151.1 Ų | 151.1 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -103.1 | 70.5 | -174.7 | 38.9 | -32.7 | 0 | 0 | 0 | 112.9 | ||||
| 202 | L | 33 | Very low | 38.2 | Very low | 156 Ų | 156 | 147.7 Ų | 147.7 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | -158 | 87.5 | 164.4 | -161.9 | 67.2 | 0 | 0 | 0 | 112.7 | ||||
| 203 | A | 31.6 | Very low | 36.9 | Very low | 108 Ų | 108 | 144 Ų | 144 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -161.8 | 64.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 204 | A | 36.1 | Very low | 35.8 | Very low | 91 Ų | 91 | 146.5 Ų | 146.5 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -161.9 | 99.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 205 | M | 28.9 | Very low | 35.2 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -178.4 | 141.1 | 144.5 | -61.3 | -148.3 | 169.2 | 0 | 0 | 108.4 | ||||
| 206 | M | 33.4 | Very low | 34.1 | Very low | 165 Ų | 165 | 148 Ų | 148 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | 60.6 | 111.2 | 160 | -10.2 | -174.1 | -167.5 | 0 | 0 | 117.1 | ||||
| 207 | E | 30.7 | Very low | 33.2 | Very low | 181 Ų | 181 | 153.2 Ų | 153.2 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | 83.8 | 128.5 | 61 | -70.7 | -88.5 | 117.4 | 0 | 0 | 114.9 | |||||
| 208 | E | 31.3 | Very low | 31.9 | Very low | 188 Ų | 188 | 150 Ų | 150 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | 69.9 | 139.9 | 166.3 | -58.3 | -165.8 | 110 | 0 | 0 | 123.4 | ||||
| 209 | E | 30.3 | Very low | 31 | Very low | 181 Ų | 181 | 150.1 Ų | 150.1 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -89.8 | -171.2 | 163.3 | -60.5 | -159.1 | 109.1 | 0 | 0 | 109.9 | ||||
| 210 | P | 41.4 | Very low | 31.1 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | cis | -140.4 | -179.5 | -2 | 44.2 | -25.2 | 0 | 0 | 0 | 117.6 | ||||
| 211 | E | 23.7 | Very low | 30.6 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | 67.7 | 133.7 | 145.3 | -128.6 | 176.9 | 123.8 | 0 | 0 | 125.2 | ||||
| 212 | S | 24.2 | Very low | 30.1 | Very low | 104 Ų | 104 | 148.1 Ų | 148.1 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 108.3 | 142.3 | 133.5 | 82.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 213 | A | 26 | Very low | 29.8 | Very low | 97 Ų | 97 | 144 Ų | 144 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | 72 | 133.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 214 | R | 29.5 | Very low | 29.6 | Very low | 236 Ų | 236 | 145.7 Ų | 145.7 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | -88.5 | 179 | 156.7 | -48.2 | 177.9 | -173.8 | 176.7 | 1.6 | 107.6 | ||||
| 215 | P | 37 | Very low | 29.1 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | cis | -152.1 | -174.8 | 21.8 | 44.7 | -22.1 | 0 | 0 | 0 | 118.6 | ||||
| 216 | E | 24.7 | Very low | 29.2 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | 51.7 | 136.5 | 139.1 | -72.5 | -77.5 | 84.7 | 0 | 0 | 126.2 | ||||
| 217 | E | 24.8 | Very low | 28.9 | Very low | 180 Ų | 180 | 142.2 Ų | 142.2 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | 52.1 | 141.2 | 144.9 | -67.9 | -164 | 139 | 0 | 0 | 125 | ||||
| 218 | G | 24 | Very low | 29 | Very low | 81 Ų | 81 | 142.4 Ų | 142.4 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | 162.9 | 86.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 219 | K | 28.2 | Very low | 29.2 | Very low | 204 Ų | 204 | 138.3 Ų | 138.3 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | trans | -87.4 | -176 | 157.5 | -111.2 | 177.8 | 174.2 | 176.4 | 0 | 109.2 | ||||
| 220 | P | 39.7 | Very low | 29.4 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | cis | -128.2 | -172.2 | 2.3 | 23.5 | 4.2 | 0 | 0 | 0 | 112.4 | ||||
| 221 | Q | 27.2 | Very low | 28.9 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | 172.2 | 164.8 | 81.4 | -84.9 | 172.9 | -22.2 | 0 | 0 | 106.3 | |||||
| 222 | D | 26 | Very low | 29.2 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | cis | -132.5 | 157.4 | 5.4 | -95.5 | -53.3 | 0 | 0 | 0 | 108.1 | ||||
| 223 | G | 26.3 | Very low | 29.7 | Very low | 68 Ų | 68 | 141 Ų | 141 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | 92.2 | 130.6 | 67.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 224 | N | 27.6 | Very low | 30.1 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | cis | -163.8 | 149 | 16 | -155.3 | 5.5 | 0 | 0 | 0 | 112.2 | ||||
| 225 | N | 26.3 | Very low | 30.1 | Very low | 129 Ų | 129 | 143 Ų | 143 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | trans | 43.6 | 154.6 | 148.2 | -91.5 | -61 | 0 | 0 | 0 | 123.2 | ||||
| 226 | A | 31 | Very low | 29.9 | Very low | 79 Ų | 79 | 143.8 Ų | 143.8 | 65% | 0.653 | 76% | 0.755 | S | S | * | * | cis | -150 | 143.1 | 3.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 227 | E | 28.1 | Very low | 30.8 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | 54.8 | 135.7 | 96.6 | -88.4 | -157.6 | 94.6 | 0 | 0 | 116.5 | |||||
| 228 | R | 32.8 | Very low | 31.4 | Very low | 185 Ų | 185 | 139.7 Ų | 139.7 | 70% | 0.698 | 75% | 0.751 | S | S | * | * | cis | -166.2 | 146.4 | 6.3 | -149.8 | -162.1 | 177.5 | 110.1 | 8.5 | 114.6 | ||||
| 229 | D | 34.6 | Very low | 32.1 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 55% | 0.551 | 75% | 0.747 | S | S | * | * | trans | 72.4 | 136 | 136 | -96.5 | -11.4 | 0 | 0 | 0 | 127.7 | ||||
| 230 | K | 34.4 | Very low | 32.9 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | 96.4 | 83.4 | 135.7 | -75.7 | 161.7 | -172.9 | 154.9 | 0 | 123.5 | ||||
| 231 | K | 30.1 | Very low | 33.1 | Very low | 188 Ų | 188 | 144.9 Ų | 144.9 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | 46.4 | 116.2 | 109.7 | -168.5 | -167.5 | -178.4 | -168.8 | 0 | 120.4 | |||||
| 232 | A | 30.2 | Very low | 33.6 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | trans | -161.7 | 155 | 133.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 233 | E | 35.4 | Very low | 34.5 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | trans | -96.5 | 147.3 | -170 | -61.1 | 153 | 70.9 | 0 | 0 | 114.7 | ||||
| 234 | K | 33.8 | Very low | 35 | Very low | 195 Ų | 195 | 147 Ų | 147 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | trans | -164.7 | 106.2 | 136.3 | -139.8 | 170.3 | 179.3 | 178.7 | 0 | 116.2 | ||||
| 235 | K | 30.1 | Very low | 35.4 | Very low | 180 Ų | 180 | 143.8 Ų | 143.8 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | trans | 35.7 | 118.8 | 141.7 | -57.2 | -168.3 | 176.9 | -170.8 | 0 | 123.4 | ||||
| 236 | T | 33.4 | Very low | 36.1 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | 64.9 | 158.1 | 129.5 | 61 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 237 | P | 43.3 | Very low | 36.6 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | cis | -134.6 | -175.3 | -44.8 | 40.1 | -23.1 | 0 | 0 | 0 | 113.2 | ||||
| 238 | D | 36.6 | Very low | 37.6 | Very low | 134 Ų | 134 | 150.3 Ų | 150.3 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | trans | -0.4 | 127.7 | 166.3 | -111.6 | -84.2 | 0 | 0 | 0 | 121.9 | K240 | D238-K240 PolarHBondContact OD1-N 3.06Š| ||
| 239 | D | 38.3 | Very low | 39 | Very low | 141 Ų | 141 | 144.7 Ų | 144.7 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | -148.5 | 100.1 | 115.9 | -158.5 | -49.1 | 0 | 0 | 0 | 110.5 | H241 | D239-H241 PolarHBondContact OD1-N 2.75Š| |||
| 240 | K | 46.4 | Very low | 41.1 | Very low | 183 Ų | 183 | 141.9 Ų | 141.9 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | trans | -99.3 | 64 | 173 | -80.7 | -175.5 | 178.3 | 170.4 | 0 | 112 | D238 K242 | D238-K240 PolarHBondContact OD1-N 3.06Å; K240-K242 PolarHBondContact O-N 2.85Å | ||
| 241 | H | 42.9 | Very low | 43.7 | Very low | 175 Ų | 175 | 137.9 Ų | 137.9 | 81% | 0.81 | 71% | 0.707 | S | S | * | * | trans | -74.7 | 54.3 | 166.5 | -131.5 | 62.5 | 0 | 0 | 0 | 114.2 | D239 Q243 | D239-H241 PolarHBondContact OD1-N 2.75Å; H241-Q243 PolarHBondContact NE2-NE2 3.16Å; H241-Q243 PolarHBondContact O-N 3.27Å | ||
| 242 | K | 38.8 | Very low | 46.7 | Very low | 195 Ų | 195 | 130.3 Ų | 130.3 | 85% | 0.848 | 67% | 0.674 | S | S | * | * | trans | -78.5 | 72.4 | 165.3 | -166.5 | 178.9 | -175.2 | 178.8 | 0 | 109.1 | K240 | K240-K242 PolarHBondContact O-N 2.85Š| ||
| 243 | Q | 44.5 | Very low | 49.8 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 58% | 0.579 | 63% | 0.634 | S | S | * | * | trans | -52.4 | 123.4 | 166.3 | -78.5 | -80.9 | -26.7 | 0 | 0 | 108.9 | H241 G245 | H241-Q243 PolarHBondContact NE2-NE2 3.16Å; H241-Q243 PolarHBondContact O-N 3.27Å; Q243-G245 PolarHBondContact O-N 2.77Å | ||
| 244 | P | 37.5 | Very low | 52.6 | Low | 106 Ų | 106 | 117.2 Ų | 117.2 | 69% | 0.688 | 60% | 0.595 | S | S | * | * | trans | -67.4 | 122.9 | 168.3 | 28.7 | -30.7 | 0 | 0 | 0 | 107.1 | F246 | P244-F246 PolarHBondContact O-N 3Š| ||
| 245 | G | 35.3 | Very low | 55.4 | Low | 77 Ų | 77 | 108.6 Ų | 108.6 | 79% | 0.794 | 56% | 0.558 | S | S | * | * | trans | -64.7 | 80.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q243 Q247 | Q243-G245 PolarHBondContact O-N 2.77Å; G245-Q247 PolarHBondContact O-N 2.98Å | ||
| 246 | F | 39.9 | Very low | 58.4 | Low | 163 Ų | 163 | 104 Ų | 104 | 72% | 0.715 | 54% | 0.537 | S | S | * | . | trans | -68 | 114.9 | 167.2 | -157.1 | -85.1 | 0 | 0 | 0 | 106.4 | P244 Q248 | P244-F246 PolarHBondContact O-N 3Å; F246-Q248 PolarHBondContact O-N 3.14Å | ||
| 247 | Q | 43.3 | Very low | 61.2 | Low | 166 Ų | 166 | 102.9 Ų | 102.9 | 78% | 0.776 | 52% | 0.518 | S | S | * | . | trans | -57.2 | 106 | 177.9 | -67.4 | 170 | -19.4 | 0 | 0 | 108.1 | G245 S249 | G245-Q247 PolarHBondContact O-N 2.98Å; Q247-S249 PolarHBondContact O-N 3.31Å | ||
| 248 | Q | 49 | Very low | 63.6 | Low | 154 Ų | 154 | 98.2 Ų | 98.2 | 72% | 0.72 | 49% | 0.486 | S | S | * | . | trans | -74.3 | 62 | 176.6 | -72.7 | -175.6 | -17.5 | 0 | 0 | 109.7 | F246 H250 | F246-Q248 PolarHBondContact O-N 3.14Å; Q248-H250 PolarHBondContact O-N 3.19Å | ||
| 249 | S | 61.3 | Low | 66.2 | Low | 67 Ų | 67 | 98.7 Ų | 98.7 | 47% | 0.469 | 48% | 0.482 | S | S | . | . | trans | -74.3 | 23.5 | 172.2 | 62.2 | 0 | 0 | 0 | 0 | 112.4 | Q247 R305 A306 | Q247-S249 PolarHBondContact O-N 3.31Å; S249-R305 CarbonylContact O-C 3.57Å; S249-A306 PolarHBondContact O-N 2.77Å | ||
| 250 | H | 78.1 | Confident | 68.8 | Low | 45 Ų | 45 | 94 Ų | 94 | 21% | 0.208 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 135.8 | 176.8 | 56.4 | -80 | 0 | 0 | 0 | 109.9 | Q248 R303 V304 | Q248-H250 PolarHBondContact O-N 3.19Å; H250-R303 HydrophobicContact CB-CG 4.42Å; H250-R303 PolarHBondContact CD2-NE 2.87Å; H250-R303 PolarHBondContact CD2-NH2 3.29Å; H250-R303 PolarHBondContact CE1-NH2 2.75Å; H250-R303 VanDerWaalsContact CE1-NH2 3.25Å; H250-R303 PolarHBondContact ND1-NH2 2.92Å; H250-R303 PolarHBondContact NE2-NH2 3.22Å; H250-V304 CarbonylContact C-O 3.59Å; H250-V304 WeakPolarHBondContact CA-O 3.48Å; H250-V304 VanDerWaalsContact CB-O 3.29Å; H250-V304 WeakPolarHBondContact CB-O 3.32Å |
| 251 | Y | 89.4 | Confident | 70.8 | Confident | 82 Ų | 82 | 92.8 Ų | 92.8 | 32% | 0.322 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 171 | 174.4 | 62.1 | -81.6 | 0 | 0 | 0 | 108.4 | V253 K273 V304 | Y251-V253 HydrophobicContact CD2-CG2 3.79Å; Y251-V253 HydrophobicContact CE2-CG2 3.48Å; Y251-V253 VanDerWaalsContact CE2-CG2 3.48Å; Y251-K273 HydrophobicContact CD2-CG 4.12Å; Y251-K273 HydrophobicContact CE2-CD 4.3Å; Y251-K273 HydrophobicContact CE2-CG 4.04Å; Y251-V304 HydrophobicContact CD1-CB 4.28Å; Y251-V304 HydrophobicContact CD2-CB 4.28Å; Y251-V304 HydrophobicContact CD2-CG2 4.4Å; Y251-V304 HydrophobicContact CE1-CB 3.95Å; Y251-V304 HydrophobicContact CE1-CG1 3.84Å; Y251-V304 HydrophobicContact CE2-CB 3.97Å; Y251-V304 HydrophobicContact CE2-CG1 4.24Å; Y251-V304 HydrophobicContact CE2-CG2 4.03Å; Y251-V304 HydrophobicContact CG-CB 4.43Å; Y251-V304 PolarHBondContact N-O 2.71Å; Y251-V304 PolarHBondContact O-N 3.28Å |
| 252 | F | 93.5 | Very high | 73 | Confident | 29 Ų | 29 | 91.2 Ų | 91.2 | 13% | 0.127 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 151 | 176.5 | -60.6 | -97.1 | 0 | 0 | 0 | 110.3 | I274 V276 W285 I301 I302 R303 | F252-I274 PolarHBondContact N-O 3.39Å; F252-I274 PolarHBondContact O-N 3Å; F252-V276 HydrophobicContact CD2-CB 4.23Å; F252-V276 HydrophobicContact CD2-CG2 3.51Å; F252-V276 HydrophobicContact CE2-CB 4.06Å; F252-V276 HydrophobicContact CE2-CG2 3.64Å; F252-V276 HydrophobicContact CG-CG2 3.98Å; F252-V276 HydrophobicContact CZ-CG2 4.2Å; F252-W285 HydrophobicContact CE1-CZ3 4.08Å; F252-W285 HydrophobicContact CZ-CZ3 4.25Å; F252-I301 HydrophobicContact CB-CB 4.4Å; F252-I301 HydrophobicContact CB-CD1 3.9Å; F252-I301 HydrophobicContact CD1-CD1 3.6Å; F252-I301 HydrophobicContact CD1-CG1 4.37Å; F252-I301 HydrophobicContact CE1-CD1 4.24Å; F252-I301 HydrophobicContact CG-CD1 3.86Å; F252-I302 CarbonylContact C-O 3.38Å; F252-I302 VanDerWaalsContact CA-O 3.27Å; F252-I302 WeakPolarHBondContact CA-O 3.34Å; F252-R303 HydrophobicContact CD1-CB 3.78Å; F252-R303 HydrophobicContact CD1-CG 4.16Å; F252-R303 HydrophobicContact CE1-CB 3.58Å; F252-R303 HydrophobicContact CE1-CG 3.75Å; F252-R303 HydrophobicContact CZ-CB 4.43Å; F252-R303 HydrophobicContact CZ-CG 4.11Å |
| 253 | V | 94.6 | Very high | 75.3 | Confident | 0 Ų | 0 | 91.9 Ų | 91.9 | 0% | 0 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140.3 | 176.1 | 177.4 | 0 | 0 | 0 | 0 | 110 | Y251 L255 G271 E272 K273 I301 I302 V304 V310 I333 | Y251-V253 HydrophobicContact CD2-CG2 3.79Å; Y251-V253 HydrophobicContact CE2-CG2 3.48Å; Y251-V253 VanDerWaalsContact CE2-CG2 3.48Å; V253-L255 PolarHBondContact O-N 3.25Å; V253-G271 WeakPolarHBondContact CG1-O 3.2Å; V253-E272 CarbonylContact C-O 3.57Å; V253-E272 VanDerWaalsContact CA-O 3.29Å; V253-E272 WeakPolarHBondContact CA-O 3.12Å; V253-K273 HydrophobicContact CG2-CG 4.02Å; V253-I301 CarbonylContact O-C 3.56Å; V253-I301 VanDerWaalsContact O-CA 3.28Å; V253-I301 WeakPolarHBondContact O-CA 3.23Å; V253-I302 HydrophobicContact CB-CG2 4.2Å; V253-I302 PolarHBondContact N-O 2.95Å; V253-I302 WeakPolarHBondContact O-CG2 3.2Å; V253-I302 PolarHBondContact O-N 2.92Å; V253-V304 HydrophobicContact CB-CG2 4.29Å; V253-V304 HydrophobicContact CG2-CG2 3.84Å; V253-V310 HydrophobicContact CG1-CG1 4.17Å; V253-V310 HydrophobicContact CG2-CG2 4.2Å; V253-I333 HydrophobicContact CG1-CG2 4.15Å |
| 254 | A | 95.3 | Very high | 77.5 | Confident | 0 Ų | 0 | 90.7 Ų | 90.7 | 0% | 0 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 125.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F268 P269 G271 E272 I274 | A254-F268 HydrophobicContact CB-CD2 3.36Å; A254-F268 HydrophobicContact CB-CE2 3.57Å; A254-F268 HydrophobicContact CB-CG 4.36Å; A254-P269 WeakPolarHBondContact CB-O 3.49Å; A254-G271 PolarHBondContact O-N 3.34Å; A254-E272 HydrophobicContact CB-CB 4.38Å; A254-E272 PolarHBondContact N-O 3.43Å; A254-I274 HydrophobicContact CB-CD1 4.15Å |
| 255 | L | 92.6 | Very high | 80.2 | Confident | 13 Ų | 13 | 86.6 Ų | 86.6 | 7% | 0.068 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -83.2 | -29.8 | 171.5 | -70.5 | 178.1 | 0 | 0 | 0 | 112.8 | V253 F300 I302 I333 | V253-L255 PolarHBondContact O-N 3.25Å; L255-F300 PolarHBondContact N-O 2.82Å; L255-I302 HydrophobicContact CD1-CB 4.05Å; L255-I302 HydrophobicContact CD2-CB 3.79Å; L255-I302 HydrophobicContact CD2-CD1 4.19Å; L255-I302 HydrophobicContact CD2-CG2 3.6Å; L255-I302 HydrophobicContact CG-CB 3.85Å; L255-I302 HydrophobicContact CG-CG2 3.99Å; L255-I333 HydrophobicContact CD2-CB 4.16Å; L255-I333 HydrophobicContact CD2-CG2 4.37Å; L255-I333 WeakPolarHBondContact CD2-O 3.5Å |
| 256 | Y | 92 | Very high | 82.9 | Confident | 84 Ų | 84 | 83 Ų | 83 | 33% | 0.329 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -135.8 | 158.2 | -173.8 | -54.8 | -72.6 | 0 | 0 | 0 | 110.6 | F258 F300 | Y256-F258 PolarHBondContact O-N 3.45Å; Y256-F300 HydrophobicContact CD2-CD1 4.49Å |
| 257 | R | 92.6 | Very high | 85.5 | Confident | 106 Ų | 106 | 77.7 Ų | 77.7 | 40% | 0.4 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 119.7 | 167.7 | -177 | 80 | 179.2 | 102.9 | -4.8 | 108.2 | K259 D267 F268 | R257-K259 HydrophobicContact CG-CG 4.23Å; R257-D267 IonicContact CZ-OD1 2.75Å; R257-D267 VanDerWaalsContact CZ-OD1 3.28Å; R257-D267 IonicContact CZ-OD2 3.14Å; R257-D267 IonicContact NH1-OD1 2.98Å; R257-D267 PolarHBondContact NH1-OD1 2.97Å; R257-D267 IonicContact NH1-OD2 2.77Å; R257-D267 PolarHBondContact NH1-OD2 2.91Å; R257-D267 VanDerWaalsContact NH1-OD2 3.14Å; R257-D267 VanDerWaalsContact NH2-CG 3.33Å; R257-D267 IonicContact NH2-OD1 3.41Å; R257-D267 PolarHBondContact NH2-OD1 3.11Å; R257-D267 IonicContact NH2-OD2 3.95Å; R257-D267 PolarHBondContact NH2-OD2 3.07Å; R257-F268 WeakPolarHBondContact CA-O 3.34Å; R257-F268 PolarHBondContact NH1-O 3.24Å |
| 258 | F | 93.4 | Very high | 87.9 | Confident | 18 Ų | 18 | 69.8 Ų | 69.8 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -102.7 | 127.3 | 161 | -173 | -127.9 | 0 | 0 | 0 | 107.9 | Y256 D265 L266 F268 W284 F296 F300 | Y256-F258 PolarHBondContact O-N 3.45Å; F258-D265 HydrophobicContact CE1-CB 4.04Å; F258-D265 HydrophobicContact CZ-CB 4.36Å; F258-L266 VanDerWaalsContact CD1-O 3.29Å; F258-L266 WeakPolarHBondContact CD1-O 3.34Å; F258-F268 HydrophobicContact CB-CD1 4.4Å; F258-F268 HydrophobicContact CB-CD2 4.09Å; F258-F268 HydrophobicContact CB-CE1 3.97Å; F258-F268 HydrophobicContact CB-CE2 3.63Å; F258-F268 HydrophobicContact CB-CG 4.45Å; F258-F268 HydrophobicContact CB-CZ 3.57Å; F258-F268 HydrophobicContact CD1-CE1 4.04Å; F258-F268 HydrophobicContact CD1-CZ 4.3Å; F258-F268 HydrophobicContact CG-CE1 4.46Å; F258-F268 HydrophobicContact CG-CZ 4.31Å; F258-F268 PolarHBondContact N-O 3.38Å; F258-F268 PolarHBondContact O-N 3.32Å; F258-W284 HydrophobicContact CE1-CZ3 4.49Å; F258-W284 HydrophobicContact CZ-CH2 4.25Å; F258-W284 AromaticContact CZ-CZ3 3.94Å; F258-W284 HydrophobicContact CZ-CZ3 3.94Å; F258-F296 HydrophobicContact CD1-CB 3.7Å; F258-F296 HydrophobicContact CE1-CB 3.82Å; F258-F300 HydrophobicContact CB-CD1 3.92Å; F258-F300 HydrophobicContact CB-CE1 4.31Å; F258-F300 HydrophobicContact CD2-CD1 4.41Å; F258-F300 HydrophobicContact CD2-CE1 4.23Å; F258-F300 HydrophobicContact CG-CD1 4.49Å |
| 259 | K | 91.8 | Very high | 90.1 | Very high | 145 Ų | 145 | 65.1 Ų | 65.1 | 63% | 0.63 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -102.1 | 127.1 | 173.2 | -71 | -176.1 | 178.7 | -179 | 0 | 107.2 | R257 L261 D267 | R257-K259 HydrophobicContact CG-CG 4.23Å; K259-L261 PolarHBondContact O-N 3.36Å; K259-D267 WeakPolarHBondContact CA-OD2 3.45Å |
| 260 | A | 91.7 | Very high | 91.7 | Very high | 43 Ų | 43 | 64.2 Ų | 64.2 | 36% | 0.355 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 129.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | D265 D267 | A260-D265 HydrophobicContact CB-CB 3.58Å; A260-D267 HydrophobicContact CB-CB 3.91Å |
| 261 | L | 88.3 | Confident | 92.3 | Very high | 157 Ų | 157 | 62.7 Ų | 62.7 | 82% | 0.822 | 31% | 0.306 | S | S | * | . | trans | -102.2 | -44.3 | 172.9 | -62.9 | 176.2 | 0 | 0 | 0 | 109.5 | K259 D265 | K259-L261 PolarHBondContact O-N 3.36Å; L261-D265 PolarHBondContact N-OD2 3.11Å | ||
| 262 | E | 89.8 | Confident | 92.6 | Very high | 141 Ų | 141 | 62.3 Ų | 62.3 | 66% | 0.659 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -93.7 | 165.4 | 173.4 | -61.5 | -165.8 | -179 | 0 | 0 | 112.2 | D264 D265 | E262-D264 PolarHBondContact O-N 2.96Å; E262-D265 PolarHBondContact N-OD2 3.33Å; E262-D265 PolarHBondContact O-N 3.14Å |
| 263 | K | 87.8 | Confident | 92.6 | Very high | 209 Ų | 209 | 65.6 Ų | 65.6 | 91% | 0.909 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -24.2 | 178.2 | -64.7 | 177.2 | -177.3 | 174 | 0 | 112.8 | ||
| 264 | D | 90.9 | Very high | 92.5 | Very high | 100 Ų | 100 | 65.7 Ų | 65.7 | 54% | 0.535 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 3.2 | 179.6 | -63 | -35.3 | 0 | 0 | 0 | 112.5 | E262 G294 F295 | E262-D264 PolarHBondContact O-N 2.96Å; D264-G294 CarbonylContact O-C 3.59Å; D264-G294 WeakPolarHBondContact O-CA 2.84Å; D264-F295 HydrophobicContact CB-CD2 4.14Å; D264-F295 HydrophobicContact CB-CE2 4.4Å; D264-F295 PolarHBondContact O-N 3.01Å |
| 265 | D | 93.4 | Very high | 92.4 | Very high | 20 Ų | 20 | 69.3 Ų | 69.3 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -80.3 | 147.1 | 174.1 | -79.9 | -27.8 | 0 | 0 | 0 | 112.4 | F258 A260 L261 E262 W284 | F258-D265 HydrophobicContact CE1-CB 4.04Å; F258-D265 HydrophobicContact CZ-CB 4.36Å; A260-D265 HydrophobicContact CB-CB 3.58Å; L261-D265 PolarHBondContact N-OD2 3.11Å; E262-D265 PolarHBondContact N-OD2 3.33Å; E262-D265 PolarHBondContact O-N 3.14Å; D265-W284 WeakPolarHBondContact OD1-CZ3 2.99Å |
| 266 | L | 93.2 | Very high | 92.4 | Very high | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | trans | -95.7 | 94.7 | 179.6 | -169.7 | 66.1 | 0 | 0 | 0 | 112.1 | F258 F268 I274 I289 K292 F295 F296 | F258-L266 VanDerWaalsContact CD1-O 3.29Å; F258-L266 WeakPolarHBondContact CD1-O 3.34Å; L266-F268 HydrophobicContact CB-CD1 4.39Å; L266-F268 HydrophobicContact CD2-CD1 4.21Å; L266-F268 HydrophobicContact CD2-CE1 4.44Å; L266-F268 HydrophobicContact CG-CD1 4.05Å; L266-F268 WeakPolarHBondContact O-CD1 3.48Å; L266-F268 WeakPolarHBondContact O-CE1 3.29Å; L266-F268 PolarHBondContact O-N 3.03Å; L266-I274 HydrophobicContact CD2-CG2 4.31Å; L266-I289 HydrophobicContact CD1-CD1 4.22Å; L266-I289 HydrophobicContact CD1-CG1 4.44Å; L266-I289 HydrophobicContact CD2-CD1 3.72Å; L266-I289 HydrophobicContact CD2-CG1 3.99Å; L266-I289 HydrophobicContact CG-CD1 3.83Å; L266-I289 HydrophobicContact CG-CG1 4.4Å; L266-K292 HydrophobicContact CD1-CB 3.85Å; L266-F295 PolarHBondContact N-O 2.78Å; L266-F296 HydrophobicContact CB-CD1 4.15Å; L266-F296 HydrophobicContact CD2-CD1 3.67Å; L266-F296 HydrophobicContact CD2-CE1 3.84Å | ||
| 267 | D | 93.3 | Very high | 92.4 | Very high | 50 Ų | 50 | 70.8 Ų | 70.8 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | trans | -64.3 | 126 | 173.6 | -177.3 | -81.5 | 0 | 0 | 0 | 112.3 | R257 K259 A260 | R257-D267 IonicContact CZ-OD1 2.75Å; R257-D267 VanDerWaalsContact CZ-OD1 3.28Å; R257-D267 IonicContact CZ-OD2 3.14Å; R257-D267 IonicContact NH1-OD1 2.98Å; R257-D267 PolarHBondContact NH1-OD1 2.97Å; R257-D267 IonicContact NH1-OD2 2.77Å; R257-D267 PolarHBondContact NH1-OD2 2.91Å; R257-D267 VanDerWaalsContact NH1-OD2 3.14Å; R257-D267 VanDerWaalsContact NH2-CG 3.33Å; R257-D267 IonicContact NH2-OD1 3.41Å; R257-D267 PolarHBondContact NH2-OD1 3.11Å; R257-D267 IonicContact NH2-OD2 3.95Å; R257-D267 PolarHBondContact NH2-OD2 3.07Å; K259-D267 WeakPolarHBondContact CA-OD2 3.45Å; A260-D267 HydrophobicContact CB-CB 3.91Å | ||
| 268 | F | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -150.3 | 146.8 | 175 | 54.4 | -105.5 | 0 | 0 | 0 | 115.7 | A254 R257 F258 L266 E272 I274 I289 F296 F300 I301 | A254-F268 HydrophobicContact CB-CD2 3.36Å; A254-F268 HydrophobicContact CB-CE2 3.57Å; A254-F268 HydrophobicContact CB-CG 4.36Å; R257-F268 WeakPolarHBondContact CA-O 3.34Å; R257-F268 PolarHBondContact NH1-O 3.24Å; F258-F268 HydrophobicContact CB-CD1 4.4Å; F258-F268 HydrophobicContact CB-CD2 4.09Å; F258-F268 HydrophobicContact CB-CE1 3.97Å; F258-F268 HydrophobicContact CB-CE2 3.63Å; F258-F268 HydrophobicContact CB-CG 4.45Å; F258-F268 HydrophobicContact CB-CZ 3.57Å; F258-F268 HydrophobicContact CD1-CE1 4.04Å; F258-F268 HydrophobicContact CD1-CZ 4.3Å; F258-F268 HydrophobicContact CG-CE1 4.46Å; F258-F268 HydrophobicContact CG-CZ 4.31Å; F258-F268 PolarHBondContact N-O 3.38Å; F258-F268 PolarHBondContact O-N 3.32Å; L266-F268 HydrophobicContact CB-CD1 4.39Å; L266-F268 HydrophobicContact CD2-CD1 4.21Å; L266-F268 HydrophobicContact CD2-CE1 4.44Å; L266-F268 HydrophobicContact CG-CD1 4.05Å; L266-F268 WeakPolarHBondContact O-CD1 3.48Å; L266-F268 WeakPolarHBondContact O-CE1 3.29Å; L266-F268 PolarHBondContact O-N 3.03Å; F268-E272 HydrophobicContact CB-CB 4.19Å; F268-E272 HydrophobicContact CB-CG 4.34Å; F268-I274 HydrophobicContact CB-CD1 4.49Å; F268-I274 HydrophobicContact CD1-CD1 3.57Å; F268-I274 HydrophobicContact CD2-CD1 3.95Å; F268-I274 HydrophobicContact CE1-CD1 3.59Å; F268-I274 HydrophobicContact CE2-CD1 3.97Å; F268-I274 HydrophobicContact CG-CD1 3.76Å; F268-I274 HydrophobicContact CZ-CD1 3.79Å; F268-I289 HydrophobicContact CB-CD1 3.5Å; F268-I289 VanDerWaalsContact CB-CD1 3.5Å; F268-I289 HydrophobicContact CD1-CD1 3.79Å; F268-I289 HydrophobicContact CG-CD1 3.99Å; F268-F296 HydrophobicContact CE1-CB 3.66Å; F268-F296 AromaticContact CE1-CD1 3.98Å; F268-F296 HydrophobicContact CE1-CD1 3.98Å; F268-F296 HydrophobicContact CE1-CD2 4.16Å; F268-F296 AromaticContact CE1-CG 3.65Å; F268-F296 HydrophobicContact CE1-CG 3.65Å; F268-F296 HydrophobicContact CZ-CB 4.02Å; F268-F296 HydrophobicContact CZ-CD2 4.12Å; F268-F296 HydrophobicContact CZ-CG 4.03Å; F268-F300 HydrophobicContact CE2-CB 4.36Å; F268-F300 HydrophobicContact CZ-CB 4.2Å; F268-I301 HydrophobicContact CZ-CG2 4.38Å |
| 269 | P | 94.5 | Very high | 92.1 | Very high | 56 Ų | 56 | 73.2 Ų | 73.2 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | trans | -79.4 | 158.4 | 171.3 | 32.9 | -33.5 | 0 | 0 | 0 | 112.6 | A254 G271 E272 | A254-P269 WeakPolarHBondContact CB-O 3.49Å; P269-G271 PolarHBondContact O-N 3.26Å; P269-E272 HydrophobicContact CG-CB 4.12Å; P269-E272 WeakPolarHBondContact O-CB 3.29Å; P269-E272 PolarHBondContact O-N 3.16Å | ||
| 270 | P | 94.1 | Very high | 92 | Very high | 48 Ų | 48 | 71.3 Ų | 71.3 | 31% | 0.312 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 134.1 | 169.8 | 28.5 | -33.9 | 0 | 0 | 0 | 110 | I333 | P270-I333 HydrophobicContact CB-CD1 4.3Å; P270-I333 HydrophobicContact CB-CG1 3.8Å |
| 271 | G | 92.5 | Very high | 91.7 | Very high | 13 Ų | 13 | 72.8 Ų | 72.8 | 13% | 0.134 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | -10.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V253 A254 P269 I364 | V253-G271 WeakPolarHBondContact CG1-O 3.2Å; A254-G271 PolarHBondContact O-N 3.34Å; P269-G271 PolarHBondContact O-N 3.26Å; G271-I364 VanDerWaalsContact CA-CD1 3.45Å |
| 272 | E | 94.6 | Very high | 91.6 | Very high | 75 Ų | 75 | 72.3 Ų | 72.3 | 35% | 0.35 | 38% | 0.38 | S | S | . | . | trans | -67.6 | 140.4 | 179.3 | -161.3 | 61.7 | -160.6 | 0 | 0 | 112 | V253 A254 F268 P269 I289 | V253-E272 CarbonylContact C-O 3.57Å; V253-E272 VanDerWaalsContact CA-O 3.29Å; V253-E272 WeakPolarHBondContact CA-O 3.12Å; A254-E272 HydrophobicContact CB-CB 4.38Å; A254-E272 PolarHBondContact N-O 3.43Å; F268-E272 HydrophobicContact CB-CB 4.19Å; F268-E272 HydrophobicContact CB-CG 4.34Å; P269-E272 HydrophobicContact CG-CB 4.12Å; P269-E272 WeakPolarHBondContact O-CB 3.29Å; P269-E272 PolarHBondContact O-N 3.16Å; E272-I289 HydrophobicContact CG-CD1 4.06Å; E272-I289 HydrophobicContact CG-CG1 4.46Å; E272-I289 HydrophobicContact CG-CG2 3.73Å; E272-I289 WeakPolarHBondContact OE1-CG2 3.27Å | ||
| 273 | K | 92.9 | Very high | 91.5 | Very high | 98 Ų | 98 | 71.5 Ų | 71.5 | 43% | 0.426 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 119.4 | -179.2 | -73.9 | 162.8 | -179.8 | 154.9 | 0 | 109.8 | Y251 V253 I364 | Y251-K273 HydrophobicContact CD2-CG 4.12Å; Y251-K273 HydrophobicContact CE2-CD 4.3Å; Y251-K273 HydrophobicContact CE2-CG 4.04Å; V253-K273 HydrophobicContact CG2-CG 4.02Å; K273-I364 VanDerWaalsContact NZ-C 3.27Å; K273-I364 PolarHBondContact NZ-O 3.34Å; K273-I364 PolarHBondContact NZ-OXT 2.85Å |
| 274 | I | 93.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 128.9 | -170.8 | -52.3 | -173.3 | 0 | 0 | 0 | 110.2 | F252 A254 L266 F268 I289 F296 I301 | F252-I274 PolarHBondContact N-O 3.39Å; F252-I274 PolarHBondContact O-N 3Å; A254-I274 HydrophobicContact CB-CD1 4.15Å; L266-I274 HydrophobicContact CD2-CG2 4.31Å; F268-I274 HydrophobicContact CB-CD1 4.49Å; F268-I274 HydrophobicContact CD1-CD1 3.57Å; F268-I274 HydrophobicContact CD2-CD1 3.95Å; F268-I274 HydrophobicContact CE1-CD1 3.59Å; F268-I274 HydrophobicContact CE2-CD1 3.97Å; F268-I274 HydrophobicContact CG-CD1 3.76Å; F268-I274 HydrophobicContact CZ-CD1 3.79Å; I274-I289 HydrophobicContact CB-CG1 4.34Å; I274-I289 HydrophobicContact CD1-CD1 3.92Å; I274-I289 HydrophobicContact CG1-CD1 3.73Å; I274-I289 HydrophobicContact CG1-CG1 3.87Å; I274-I289 HydrophobicContact CG2-CG1 4.29Å; I274-F296 HydrophobicContact CG2-CE1 3.83Å; I274-F296 HydrophobicContact CG2-CZ 3.85Å; I274-I301 HydrophobicContact CD1-CG2 3.76Å |
| 275 | T | 92.6 | Very high | 91.9 | Very high | 76 Ų | 76 | 64.3 Ų | 64.3 | 47% | 0.466 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 111.2 | 170.6 | -57.7 | 0 | 0 | 0 | 0 | 108.9 | G287 K288 | T275-G287 CarbonylContact O-C 3.58Å; T275-G287 WeakPolarHBondContact O-CA 3.28Å; T275-K288 PolarHBondContact N-O 2.91Å; T275-K288 PolarHBondContact O-N 2.99Å |
| 276 | V | 92.6 | Very high | 91.8 | Very high | 28 Ų | 28 | 68 Ų | 68 | 17% | 0.17 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 130.6 | 172.8 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | F252 D279 W285 F296 I301 | F252-V276 HydrophobicContact CD2-CB 4.23Å; F252-V276 HydrophobicContact CD2-CG2 3.51Å; F252-V276 HydrophobicContact CE2-CB 4.06Å; F252-V276 HydrophobicContact CE2-CG2 3.64Å; F252-V276 HydrophobicContact CG-CG2 3.98Å; F252-V276 HydrophobicContact CZ-CG2 4.2Å; V276-D279 HydrophobicContact CG1-CB 4.19Å; V276-W285 HydrophobicContact CG1-CD2 4.47Å; V276-W285 HydrophobicContact CG1-CE3 3.93Å; V276-W285 HydrophobicContact CG2-CE3 3.87Å; V276-W285 HydrophobicContact CG2-CZ3 4.24Å; V276-F296 HydrophobicContact CG2-CZ 4.34Å; V276-I301 HydrophobicContact CG2-CD1 3.97Å |
| 277 | I | 91.7 | Very high | 91.9 | Very high | 100 Ų | 100 | 67.9 Ų | 67.9 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -40.8 | 177.9 | -64.7 | 174.8 | 0 | 0 | 0 | 110.3 | R286 K288 V293 | I277-R286 PolarHBondContact N-O 3.16Å; I277-K288 HydrophobicContact CD1-CB 3.61Å; I277-K288 HydrophobicContact CD1-CD 4.23Å; I277-K288 HydrophobicContact CG1-CB 4.3Å; I277-V293 HydrophobicContact CD1-CG1 4.27Å |
| 278 | D | 89.8 | Confident | 91.9 | Very high | 68 Ų | 68 | 69.7 Ų | 69.7 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 118.9 | -177 | -164.6 | -8.8 | 0 | 0 | 0 | 110.2 | S280 W285 R286 | D278-S280 WeakPolarHBondContact OD1-CB 3.21Å; D278-S280 PolarHBondContact OD1-N 3.37Å; D278-S280 PolarHBondContact OD1-OG 3.49Å; D278-W285 WeakPolarHBondContact O-CA 3.49Å; D278-R286 HydrophobicContact CB-CB 3.9Å; D278-R286 PolarHBondContact N-O 2.78Å; D278-R286 PolarHBondContact O-N 3.1Å |
| 279 | D | 90.9 | Very high | 91.8 | Very high | 107 Ų | 107 | 70.7 Ų | 70.7 | 57% | 0.572 | 36% | 0.359 | S | S | * | . | trans | -112.9 | 17.8 | 175.3 | 62.4 | -18.8 | 0 | 0 | 0 | 112.6 | V276 N281 W285 | V276-D279 HydrophobicContact CG1-CB 4.19Å; D279-N281 PolarHBondContact O-N 2.78Å; D279-W285 HydrophobicContact CB-CD2 3.93Å; D279-W285 HydrophobicContact CB-CE3 4.37Å; D279-W285 HydrophobicContact CB-CG 4.38Å; D279-W285 HydrophobicContact CB-CH2 4.4Å; D279-W285 HydrophobicContact CB-CZ2 3.95Å | ||
| 280 | S | 89.2 | Confident | 91.5 | Very high | 106 Ų | 106 | 71.2 Ų | 71.2 | 74% | 0.741 | 37% | 0.374 | S | S | * | . | trans | -68.8 | -15.7 | -176.5 | -54.7 | 0 | 0 | 0 | 0 | 115.2 | D278 | D278-S280 WeakPolarHBondContact OD1-CB 3.21Å; D278-S280 PolarHBondContact OD1-N 3.37Å; D278-S280 PolarHBondContact OD1-OG 3.49Å | ||
| 281 | N | 86.9 | Confident | 91.3 | Very high | 73 Ų | 73 | 77.8 Ų | 77.8 | 39% | 0.39 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -113.9 | 137.3 | -178.6 | 174.5 | -42.4 | 0 | 0 | 0 | 108.7 | D279 E283 W284 W285 | D279-N281 PolarHBondContact O-N 2.78Å; N281-E283 PolarHBondContact OD1-N 2.8Å; N281-E283 PolarHBondContact OD1-OE2 3.28Å; N281-W284 WeakPolarHBondContact CB-O 3.14Å; N281-W284 PolarHBondContact OD1-N 3.27Å; N281-W285 PolarHBondContact O-NE1 2.75Å |
| 282 | E | 85.6 | Confident | 91.3 | Very high | 147 Ų | 147 | 83.5 Ų | 83.5 | 69% | 0.687 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -83 | -25.9 | -174.1 | -61.7 | -163.7 | 169.6 | 0 | 0 | 112.9 | P298 | E282-P298 VanDerWaalsContact O-CG 3.32Å; E282-P298 WeakPolarHBondContact O-CG 3.24Å |
| 283 | E | 88.3 | Confident | 91.2 | Very high | 125 Ų | 125 | 83.2 Ų | 83.2 | 58% | 0.584 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -86.4 | -37.5 | 178.7 | -66.6 | 70.1 | -149.7 | 0 | 0 | 113.2 | N281 P298 | N281-E283 PolarHBondContact OD1-N 2.8Å; N281-E283 PolarHBondContact OD1-OE2 3.28Å; E283-P298 WeakPolarHBondContact O-CD 3.1Å |
| 284 | W | 91.2 | Very high | 91.3 | Very high | 109 Ų | 109 | 78.7 Ų | 78.7 | 41% | 0.413 | 41% | 0.406 | S | S | . | . | trans | -136.8 | 113.3 | -170.3 | -69.8 | 95.3 | 0 | 0 | 0 | 112.5 | F258 D265 N281 F295 P297 | F258-W284 HydrophobicContact CE1-CZ3 4.49Å; F258-W284 HydrophobicContact CZ-CH2 4.25Å; F258-W284 AromaticContact CZ-CZ3 3.94Å; F258-W284 HydrophobicContact CZ-CZ3 3.94Å; D265-W284 WeakPolarHBondContact OD1-CZ3 2.99Å; N281-W284 WeakPolarHBondContact CB-O 3.14Å; N281-W284 PolarHBondContact OD1-N 3.27Å; W284-F295 HydrophobicContact CE3-CB 3.91Å; W284-P297 HydrophobicContact CH2-CG 4.49Å; W284-P297 HydrophobicContact CZ3-CG 4.29Å | ||
| 285 | W | 94.3 | Very high | 91.3 | Very high | 49 Ų | 49 | 81.6 Ų | 81.6 | 19% | 0.186 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 143.5 | 175 | -73.7 | 9.4 | 0 | 0 | 0 | 110.6 | F252 V276 D278 D279 N281 F295 F296 P298 I301 | F252-W285 HydrophobicContact CE1-CZ3 4.08Å; F252-W285 HydrophobicContact CZ-CZ3 4.25Å; V276-W285 HydrophobicContact CG1-CD2 4.47Å; V276-W285 HydrophobicContact CG1-CE3 3.93Å; V276-W285 HydrophobicContact CG2-CE3 3.87Å; V276-W285 HydrophobicContact CG2-CZ3 4.24Å; D278-W285 WeakPolarHBondContact O-CA 3.49Å; D279-W285 HydrophobicContact CB-CD2 3.93Å; D279-W285 HydrophobicContact CB-CE3 4.37Å; D279-W285 HydrophobicContact CB-CG 4.38Å; D279-W285 HydrophobicContact CB-CH2 4.4Å; D279-W285 HydrophobicContact CB-CZ2 3.95Å; N281-W285 PolarHBondContact O-NE1 2.75Å; W285-F295 CarbonylContact O-C 3.58Å; W285-F295 VanDerWaalsContact O-CA 3.29Å; W285-F295 WeakPolarHBondContact O-CA 3.45Å; W285-F296 HydrophobicContact CB-CE2 4.24Å; W285-F296 HydrophobicContact CB-CZ 4.21Å; W285-F296 PolarHBondContact N-O 2.98Å; W285-F296 PolarHBondContact O-N 2.86Å; W285-P298 HydrophobicContact CD2-CB 3.68Å; W285-P298 HydrophobicContact CD2-CG 4.43Å; W285-P298 HydrophobicContact CE3-CB 4.05Å; W285-P298 HydrophobicContact CG-CB 4.04Å; W285-P298 HydrophobicContact CG-CG 4.41Å; W285-P298 HydrophobicContact CH2-CB 4.36Å; W285-P298 HydrophobicContact CZ2-CB 4.02Å; W285-P298 HydrophobicContact CZ3-CB 4.38Å; W285-I301 HydrophobicContact CE3-CD1 3.85Å; W285-I301 HydrophobicContact CZ3-CD1 3.94Å |
| 286 | R | 92.5 | Very high | 91.4 | Very high | 97 Ų | 97 | 78 Ų | 78 | 37% | 0.366 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 130.5 | 170 | -173.6 | 176.2 | -89.8 | -162.3 | -12.2 | 109.5 | I277 D278 V293 G294 F295 | I277-R286 PolarHBondContact N-O 3.16Å; D278-R286 HydrophobicContact CB-CB 3.9Å; D278-R286 PolarHBondContact N-O 2.78Å; D278-R286 PolarHBondContact O-N 3.1Å; R286-V293 HydrophobicContact CG-CG1 3.98Å; R286-G294 WeakPolarHBondContact CA-O 3.38Å; R286-F295 HydrophobicContact CB-CD1 3.9Å; R286-F295 HydrophobicContact CB-CE1 3.84Å; R286-F295 HydrophobicContact CG-CE1 4.37Å; R286-F295 VanDerWaalsContact NE-CZ 3.32Å; R286-F295 VanDerWaalsContact NH2-CE2 3.31Å; R286-F295 VanDerWaalsContact NH2-CZ 3.26Å |
| 287 | G | 93.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | -178.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T275 V293 G294 | T275-G287 CarbonylContact O-C 3.58Å; T275-G287 WeakPolarHBondContact O-CA 3.28Å; G287-V293 WeakPolarHBondContact O-CA 3.4Å; G287-G294 PolarHBondContact N-O 2.94Å; G287-G294 PolarHBondContact O-N 3.02Å; G287-G294 VanDerWaalsContact O-N 3.11Å |
| 288 | K | 93.5 | Very high | 91.3 | Very high | 88 Ų | 88 | 74.2 Ų | 74.2 | 38% | 0.383 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 137.5 | -172.2 | 177.9 | 169.7 | -178.6 | 171.1 | 0 | 111.5 | T275 I277 G290 K292 V293 | T275-K288 PolarHBondContact N-O 2.91Å; T275-K288 PolarHBondContact O-N 2.99Å; I277-K288 HydrophobicContact CD1-CB 3.61Å; I277-K288 HydrophobicContact CD1-CD 4.23Å; I277-K288 HydrophobicContact CG1-CB 4.3Å; K288-G290 WeakPolarHBondContact CE-O 3.14Å; K288-K292 CarbonylContact C-O 3.59Å; K288-K292 VanDerWaalsContact CA-O 3.24Å; K288-K292 WeakPolarHBondContact CA-O 2.95Å; K288-V293 HydrophobicContact CB-CG2 4.05Å; K288-V293 HydrophobicContact CD-CG2 3.88Å; K288-V293 HydrophobicContact CG-CG2 3.89Å |
| 289 | I | 93.3 | Very high | 91.4 | Very high | 21 Ų | 21 | 76.9 Ų | 76.9 | 11% | 0.108 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 110 | 176.9 | -61.2 | 167.1 | 0 | 0 | 0 | 107 | L266 F268 E272 I274 E291 K292 | L266-I289 HydrophobicContact CD1-CD1 4.22Å; L266-I289 HydrophobicContact CD1-CG1 4.44Å; L266-I289 HydrophobicContact CD2-CD1 3.72Å; L266-I289 HydrophobicContact CD2-CG1 3.99Å; L266-I289 HydrophobicContact CG-CD1 3.83Å; L266-I289 HydrophobicContact CG-CG1 4.4Å; F268-I289 HydrophobicContact CB-CD1 3.5Å; F268-I289 VanDerWaalsContact CB-CD1 3.5Å; F268-I289 HydrophobicContact CD1-CD1 3.79Å; F268-I289 HydrophobicContact CG-CD1 3.99Å; E272-I289 HydrophobicContact CG-CD1 4.06Å; E272-I289 HydrophobicContact CG-CG1 4.46Å; E272-I289 HydrophobicContact CG-CG2 3.73Å; E272-I289 WeakPolarHBondContact OE1-CG2 3.27Å; I274-I289 HydrophobicContact CB-CG1 4.34Å; I274-I289 HydrophobicContact CD1-CD1 3.92Å; I274-I289 HydrophobicContact CG1-CD1 3.73Å; I274-I289 HydrophobicContact CG1-CG1 3.87Å; I274-I289 HydrophobicContact CG2-CG1 4.29Å; I289-E291 PolarHBondContact O-N 3.02Å; I289-K292 PolarHBondContact N-O 2.93Å; I289-K292 PolarHBondContact O-N 2.92Å |
| 290 | G | 88.8 | Confident | 91.5 | Very high | 67 Ų | 67 | 74.6 Ų | 74.6 | 69% | 0.691 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | -112.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | K288 | K288-G290 WeakPolarHBondContact CE-O 3.14Š|
| 291 | E | 89.6 | Confident | 91.7 | Very high | 186 Ų | 186 | 70.3 Ų | 70.3 | 87% | 0.869 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -18.9 | 175.8 | -61.6 | -174.6 | 152.7 | 0 | 0 | 113.7 | I289 | I289-E291 PolarHBondContact O-N 3.02Š|
| 292 | K | 92.3 | Very high | 92 | Very high | 132 Ų | 132 | 67.1 Ų | 67.1 | 57% | 0.574 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 133.4 | -179.1 | -62.2 | -177.7 | -179.1 | -179.9 | 0 | 110.2 | L266 K288 I289 | L266-K292 HydrophobicContact CD1-CB 3.85Å; K288-K292 CarbonylContact C-O 3.59Å; K288-K292 VanDerWaalsContact CA-O 3.24Å; K288-K292 WeakPolarHBondContact CA-O 2.95Å; I289-K292 PolarHBondContact N-O 2.93Å; I289-K292 PolarHBondContact O-N 2.92Å |
| 293 | V | 92.9 | Very high | 92.2 | Very high | 70 Ų | 70 | 65.6 Ų | 65.6 | 42% | 0.424 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.3 | 174.4 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | I277 R286 G287 K288 | I277-V293 HydrophobicContact CD1-CG1 4.27Å; R286-V293 HydrophobicContact CG-CG1 3.98Å; G287-V293 WeakPolarHBondContact O-CA 3.4Å; K288-V293 HydrophobicContact CB-CG2 4.05Å; K288-V293 HydrophobicContact CD-CG2 3.88Å; K288-V293 HydrophobicContact CG-CG2 3.89Å |
| 294 | G | 93.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | 179.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D264 R286 G287 | D264-G294 CarbonylContact O-C 3.59Å; D264-G294 WeakPolarHBondContact O-CA 2.84Å; R286-G294 WeakPolarHBondContact CA-O 3.38Å; G287-G294 PolarHBondContact N-O 2.94Å; G287-G294 PolarHBondContact O-N 3.02Å; G287-G294 VanDerWaalsContact O-N 3.11Å |
| 295 | F | 93.8 | Very high | 92.3 | Very high | 62 Ų | 62 | 61.9 Ų | 61.9 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 152 | 177.9 | -61.7 | -78.8 | 0 | 0 | 0 | 111.8 | D264 L266 W284 W285 R286 | D264-F295 HydrophobicContact CB-CD2 4.14Å; D264-F295 HydrophobicContact CB-CE2 4.4Å; D264-F295 PolarHBondContact O-N 3.01Å; L266-F295 PolarHBondContact N-O 2.78Å; W284-F295 HydrophobicContact CE3-CB 3.91Å; W285-F295 CarbonylContact O-C 3.58Å; W285-F295 VanDerWaalsContact O-CA 3.29Å; W285-F295 WeakPolarHBondContact O-CA 3.45Å; R286-F295 HydrophobicContact CB-CD1 3.9Å; R286-F295 HydrophobicContact CB-CE1 3.84Å; R286-F295 HydrophobicContact CG-CE1 4.37Å; R286-F295 VanDerWaalsContact NE-CZ 3.32Å; R286-F295 VanDerWaalsContact NH2-CE2 3.31Å; R286-F295 VanDerWaalsContact NH2-CZ 3.26Å |
| 296 | F | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 159.9 | 171.1 | 61.3 | -90.7 | 0 | 0 | 0 | 111.1 | F258 L266 F268 I274 V276 W285 I301 | F258-F296 HydrophobicContact CD1-CB 3.7Å; F258-F296 HydrophobicContact CE1-CB 3.82Å; L266-F296 HydrophobicContact CB-CD1 4.15Å; L266-F296 HydrophobicContact CD2-CD1 3.67Å; L266-F296 HydrophobicContact CD2-CE1 3.84Å; F268-F296 HydrophobicContact CE1-CB 3.66Å; F268-F296 AromaticContact CE1-CD1 3.98Å; F268-F296 HydrophobicContact CE1-CD1 3.98Å; F268-F296 HydrophobicContact CE1-CD2 4.16Å; F268-F296 AromaticContact CE1-CG 3.65Å; F268-F296 HydrophobicContact CE1-CG 3.65Å; F268-F296 HydrophobicContact CZ-CB 4.02Å; F268-F296 HydrophobicContact CZ-CD2 4.12Å; F268-F296 HydrophobicContact CZ-CG 4.03Å; I274-F296 HydrophobicContact CG2-CE1 3.83Å; I274-F296 HydrophobicContact CG2-CZ 3.85Å; V276-F296 HydrophobicContact CG2-CZ 4.34Å; W285-F296 HydrophobicContact CB-CE2 4.24Å; W285-F296 HydrophobicContact CB-CZ 4.21Å; W285-F296 PolarHBondContact N-O 2.98Å; W285-F296 PolarHBondContact O-N 2.86Å; F296-I301 HydrophobicContact CD2-CG2 4.13Å; F296-I301 HydrophobicContact CE2-CB 4.45Å; F296-I301 HydrophobicContact CE2-CD1 3.62Å; F296-I301 HydrophobicContact CE2-CG1 3.95Å; F296-I301 HydrophobicContact CE2-CG2 3.64Å; F296-I301 HydrophobicContact CZ-CD1 4Å; F296-I301 HydrophobicContact CZ-CG2 4.32Å |
| 297 | P | 92.3 | Very high | 91.4 | Very high | 26 Ų | 26 | 62.3 Ų | 62.3 | 17% | 0.169 | 34% | 0.341 | C | S | . | . | trans | -74.3 | 133.6 | 178.5 | -16.7 | 31.4 | 0 | 0 | 0 | 112.4 | W284 N299 F300 | W284-P297 HydrophobicContact CH2-CG 4.49Å; W284-P297 HydrophobicContact CZ3-CG 4.29Å; P297-N299 PolarHBondContact O-N 2.9Å; P297-N299 VanDerWaalsContact O-N 3.07Å; P297-F300 HydrophobicContact CB-CD2 4Å; P297-F300 HydrophobicContact CB-CE2 4.47Å; P297-F300 HydrophobicContact CG-CD2 4.19Å; P297-F300 HydrophobicContact CG-CE2 4.37Å; P297-F300 WeakPolarHBondContact O-CB 3.24Å; P297-F300 PolarHBondContact O-N 2.92Å | ||
| 298 | P | 90.9 | Very high | 91.2 | Very high | 24 Ų | 24 | 64 Ų | 64 | 16% | 0.156 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -61.2 | -24.7 | -177.5 | 21.2 | -30.9 | 0 | 0 | 0 | 113.9 | E282 E283 W285 F300 I301 | E282-P298 VanDerWaalsContact O-CG 3.32Å; E282-P298 WeakPolarHBondContact O-CG 3.24Å; E283-P298 WeakPolarHBondContact O-CD 3.1Å; W285-P298 HydrophobicContact CD2-CB 3.68Å; W285-P298 HydrophobicContact CD2-CG 4.43Å; W285-P298 HydrophobicContact CE3-CB 4.05Å; W285-P298 HydrophobicContact CG-CB 4.04Å; W285-P298 HydrophobicContact CG-CG 4.41Å; W285-P298 HydrophobicContact CH2-CB 4.36Å; W285-P298 HydrophobicContact CZ2-CB 4.02Å; W285-P298 HydrophobicContact CZ3-CB 4.38Å; P298-F300 PolarHBondContact O-N 3.27Å; P298-F300 VanDerWaalsContact O-N 3.16Å; P298-I301 WeakPolarHBondContact O-CG1 3.38Å; P298-I301 PolarHBondContact O-N 3.41Å |
| 299 | N | 91.8 | Very high | 91.1 | Very high | 123 Ų | 123 | 64.3 Ų | 64.3 | 66% | 0.658 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -65.5 | -11.7 | 175.7 | -71.2 | -52.4 | 0 | 0 | 0 | 114.4 | P297 | P297-N299 PolarHBondContact O-N 2.9Å; P297-N299 VanDerWaalsContact O-N 3.07Å |
| 300 | F | 91.8 | Very high | 91.2 | Very high | 60 Ų | 60 | 63.4 Ų | 63.4 | 26% | 0.263 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -88.8 | -6.6 | 179 | -83.2 | -120.1 | 0 | 0 | 0 | 113.5 | L255 Y256 F258 F268 P297 P298 | L255-F300 PolarHBondContact N-O 2.82Å; Y256-F300 HydrophobicContact CD2-CD1 4.49Å; F258-F300 HydrophobicContact CB-CD1 3.92Å; F258-F300 HydrophobicContact CB-CE1 4.31Å; F258-F300 HydrophobicContact CD2-CD1 4.41Å; F258-F300 HydrophobicContact CD2-CE1 4.23Å; F258-F300 HydrophobicContact CG-CD1 4.49Å; F268-F300 HydrophobicContact CE2-CB 4.36Å; F268-F300 HydrophobicContact CZ-CB 4.2Å; P297-F300 HydrophobicContact CB-CD2 4Å; P297-F300 HydrophobicContact CB-CE2 4.47Å; P297-F300 HydrophobicContact CG-CD2 4.19Å; P297-F300 HydrophobicContact CG-CE2 4.37Å; P297-F300 WeakPolarHBondContact O-CB 3.24Å; P297-F300 PolarHBondContact O-N 2.92Å; P298-F300 PolarHBondContact O-N 3.27Å; P298-F300 VanDerWaalsContact O-N 3.16Å |
| 301 | I | 93.2 | Very high | 91.5 | Very high | 15 Ų | 15 | 61.2 Ų | 61.2 | 8% | 0.077 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 158.5 | -176.9 | 60.5 | 164 | 0 | 0 | 0 | 112.5 | F252 V253 F268 I274 V276 W285 F296 P298 | F252-I301 HydrophobicContact CB-CB 4.4Å; F252-I301 HydrophobicContact CB-CD1 3.9Å; F252-I301 HydrophobicContact CD1-CD1 3.6Å; F252-I301 HydrophobicContact CD1-CG1 4.37Å; F252-I301 HydrophobicContact CE1-CD1 4.24Å; F252-I301 HydrophobicContact CG-CD1 3.86Å; V253-I301 CarbonylContact O-C 3.56Å; V253-I301 VanDerWaalsContact O-CA 3.28Å; V253-I301 WeakPolarHBondContact O-CA 3.23Å; F268-I301 HydrophobicContact CZ-CG2 4.38Å; I274-I301 HydrophobicContact CD1-CG2 3.76Å; V276-I301 HydrophobicContact CG2-CD1 3.97Å; W285-I301 HydrophobicContact CE3-CD1 3.85Å; W285-I301 HydrophobicContact CZ3-CD1 3.94Å; F296-I301 HydrophobicContact CD2-CG2 4.13Å; F296-I301 HydrophobicContact CE2-CB 4.45Å; F296-I301 HydrophobicContact CE2-CD1 3.62Å; F296-I301 HydrophobicContact CE2-CG1 3.95Å; F296-I301 HydrophobicContact CE2-CG2 3.64Å; F296-I301 HydrophobicContact CZ-CD1 4Å; F296-I301 HydrophobicContact CZ-CG2 4.32Å; P298-I301 WeakPolarHBondContact O-CG1 3.38Å; P298-I301 PolarHBondContact O-N 3.41Å |
| 302 | I | 93 | Very high | 91.8 | Very high | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 137 | 172.2 | -170.3 | 157.8 | 0 | 0 | 0 | 110.6 | F252 V253 L255 V304 V335 Y348 | F252-I302 CarbonylContact C-O 3.38Å; F252-I302 VanDerWaalsContact CA-O 3.27Å; F252-I302 WeakPolarHBondContact CA-O 3.34Å; V253-I302 HydrophobicContact CB-CG2 4.2Å; V253-I302 PolarHBondContact N-O 2.95Å; V253-I302 WeakPolarHBondContact O-CG2 3.2Å; V253-I302 PolarHBondContact O-N 2.92Å; L255-I302 HydrophobicContact CD1-CB 4.05Å; L255-I302 HydrophobicContact CD2-CB 3.79Å; L255-I302 HydrophobicContact CD2-CD1 4.19Å; L255-I302 HydrophobicContact CD2-CG2 3.6Å; L255-I302 HydrophobicContact CG-CB 3.85Å; L255-I302 HydrophobicContact CG-CG2 3.99Å; I302-V304 HydrophobicContact CG2-CG2 4.5Å; I302-V335 HydrophobicContact CB-CG2 4.47Å; I302-V335 HydrophobicContact CD1-CB 4.16Å; I302-V335 HydrophobicContact CD1-CG2 3.62Å; I302-V335 HydrophobicContact CG1-CG2 3.86Å; I302-V335 HydrophobicContact CG2-CG2 3.76Å; I302-Y348 HydrophobicContact CD1-CD1 3.73Å; I302-Y348 HydrophobicContact CD1-CE1 3.98Å; I302-Y348 HydrophobicContact CG1-CE1 4.49Å |
| 303 | R | 91.5 | Very high | 91.9 | Very high | 116 Ų | 116 | 49.8 Ų | 49.8 | 44% | 0.438 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 124.1 | 174.4 | -170.2 | 175.9 | 179.3 | 168.1 | 5.3 | 110.5 | H250 F252 | H250-R303 HydrophobicContact CB-CG 4.42Å; H250-R303 PolarHBondContact CD2-NE 2.87Å; H250-R303 PolarHBondContact CD2-NH2 3.29Å; H250-R303 PolarHBondContact CE1-NH2 2.75Å; H250-R303 VanDerWaalsContact CE1-NH2 3.25Å; H250-R303 PolarHBondContact ND1-NH2 2.92Å; H250-R303 PolarHBondContact NE2-NH2 3.22Å; F252-R303 HydrophobicContact CD1-CB 3.78Å; F252-R303 HydrophobicContact CD1-CG 4.16Å; F252-R303 HydrophobicContact CE1-CB 3.58Å; F252-R303 HydrophobicContact CE1-CG 3.75Å; F252-R303 HydrophobicContact CZ-CB 4.43Å; F252-R303 HydrophobicContact CZ-CG 4.11Å |
| 304 | V | 91.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.9 | 176.9 | -166.2 | 0 | 0 | 0 | 0 | 108.4 | H250 Y251 V253 I302 E308 V310 V335 | H250-V304 CarbonylContact C-O 3.59Å; H250-V304 WeakPolarHBondContact CA-O 3.48Å; H250-V304 VanDerWaalsContact CB-O 3.29Å; H250-V304 WeakPolarHBondContact CB-O 3.32Å; Y251-V304 HydrophobicContact CD1-CB 4.28Å; Y251-V304 HydrophobicContact CD2-CB 4.28Å; Y251-V304 HydrophobicContact CD2-CG2 4.4Å; Y251-V304 HydrophobicContact CE1-CB 3.95Å; Y251-V304 HydrophobicContact CE1-CG1 3.84Å; Y251-V304 HydrophobicContact CE2-CB 3.97Å; Y251-V304 HydrophobicContact CE2-CG1 4.24Å; Y251-V304 HydrophobicContact CE2-CG2 4.03Å; Y251-V304 HydrophobicContact CG-CB 4.43Å; Y251-V304 PolarHBondContact N-O 2.71Å; Y251-V304 PolarHBondContact O-N 3.28Å; V253-V304 HydrophobicContact CB-CG2 4.29Å; V253-V304 HydrophobicContact CG2-CG2 3.84Å; I302-V304 HydrophobicContact CG2-CG2 4.5Å; V304-E308 HydrophobicContact CG1-CB 3.88Å; V304-E308 WeakPolarHBondContact CG1-O 3.38Å; V304-V310 HydrophobicContact CB-CG2 4.33Å; V304-V310 HydrophobicContact CG1-CG2 3.73Å; V304-V310 HydrophobicContact CG2-CG2 3.66Å; V304-V335 HydrophobicContact CG1-CG1 4.37Å; V304-V335 HydrophobicContact CG2-CG2 3.94Å |
| 305 | R | 89.1 | Confident | 92.2 | Very high | 156 Ų | 156 | 56.3 Ų | 56.3 | 59% | 0.589 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 159.2 | 174.6 | -59.9 | 176 | 174.3 | 154.2 | -1.6 | 110.9 | S249 G307 E308 | S249-R305 CarbonylContact O-C 3.57Å; R305-G307 PolarHBondContact O-N 3.06Å; R305-E308 HydrophobicContact CB-CG 4.04Å; R305-E308 PolarHBondContact N-OE2 2.97Å; R305-E308 WeakPolarHBondContact O-CB 3.24Å; R305-E308 PolarHBondContact O-N 2.75Å |
| 306 | A | 82.7 | Confident | 92.2 | Very high | 72 Ų | 72 | 56.9 Ų | 56.9 | 60% | 0.595 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 127.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S249 | S249-A306 PolarHBondContact O-N 2.77Š|
| 307 | G | 84.1 | Confident | 92.3 | Very high | 83 Ų | 83 | 58.9 Ų | 58.9 | 86% | 0.856 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | -7.7 | -174 | 0 | 0 | 0 | 0 | 0 | 115.3 | R305 | R305-G307 PolarHBondContact O-N 3.06Š|
| 308 | E | 90.5 | Very high | 92.4 | Very high | 34 Ų | 34 | 63.2 Ų | 63.2 | 16% | 0.159 | 33% | 0.329 | C | S | . | . | trans | -90.9 | 129.5 | 171.3 | -58.5 | 178.4 | 160.7 | 0 | 0 | 109.8 | V304 R305 V335 K337 | V304-E308 HydrophobicContact CG1-CB 3.88Å; V304-E308 WeakPolarHBondContact CG1-O 3.38Å; R305-E308 HydrophobicContact CB-CG 4.04Å; R305-E308 PolarHBondContact N-OE2 2.97Å; R305-E308 WeakPolarHBondContact O-CB 3.24Å; R305-E308 PolarHBondContact O-N 2.75Å; E308-V335 HydrophobicContact CB-CG1 3.86Å; E308-K337 HydrophobicContact CG-CD 4.5Å; E308-K337 IonicContact OE1-NZ 2.84Å; E308-K337 PolarHBondContact OE1-NZ 2.84Å; E308-K337 IonicContact OE2-NZ 3.28Å; E308-K337 PolarHBondContact OE2-NZ 2.84Å | ||
| 309 | R | 91.6 | Very high | 92.5 | Very high | 96 Ų | 96 | 62.5 Ų | 62.5 | 36% | 0.362 | 33% | 0.326 | S | S | . | . | trans | -93.4 | 150.4 | 177.6 | -59.5 | -171.3 | -61.6 | -114 | 21.6 | 110.7 | V335 Q336 E363 | R309-V335 WeakPolarHBondContact O-CA 3.35Å; R309-Q336 HydrophobicContact CB-CB 4.25Å; R309-Q336 PolarHBondContact O-N 2.89Å; R309-E363 VanDerWaalsContact CD-OE1 3.31Å; R309-E363 WeakPolarHBondContact CD-OE1 2.94Å; R309-E363 WeakPolarHBondContact CD-OE2 3.11Å; R309-E363 IonicContact NE-OE2 3.26Å | ||
| 310 | V | 94.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.2 | 179.9 | -166.3 | 0 | 0 | 0 | 0 | 108.3 | V253 V304 I333 V335 E363 I364 | V253-V310 HydrophobicContact CG1-CG1 4.17Å; V253-V310 HydrophobicContact CG2-CG2 4.2Å; V304-V310 HydrophobicContact CB-CG2 4.33Å; V304-V310 HydrophobicContact CG1-CG2 3.73Å; V304-V310 HydrophobicContact CG2-CG2 3.66Å; V310-I333 HydrophobicContact CG1-CG2 3.64Å; V310-V335 HydrophobicContact CG1-CG2 4.43Å; V310-V335 HydrophobicContact CG2-CG2 4.35Å; V310-E363 WeakPolarHBondContact O-CA 3.25Å; V310-I364 HydrophobicContact CB-CG1 4.02Å; V310-I364 HydrophobicContact CG1-CD1 3.95Å; V310-I364 HydrophobicContact CG1-CG1 3.96Å; V310-I364 PolarHBondContact O-N 2.99Å |
| 311 | H | 95.3 | Very high | 92.5 | Very high | 21 Ų | 21 | 68 Ų | 68 | 10% | 0.097 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 144.4 | -177.6 | -59.7 | -83.8 | 0 | 0 | 0 | 111.7 | I333 V334 L361 E362 E363 | H311-I333 WeakPolarHBondContact O-CA 3.29Å; H311-V334 HydrophobicContact CB-CG2 4.16Å; H311-V334 PolarHBondContact N-O 2.86Å; H311-V334 PolarHBondContact O-N 3.3Å; H311-L361 HydrophobicContact CB-CB 3.95Å; H311-L361 HydrophobicContact CB-CD1 4.47Å; H311-L361 HydrophobicContact CB-CD2 3.94Å; H311-L361 HydrophobicContact CB-CG 4.34Å; H311-E362 CarbonylContact C-O 3.46Å; H311-E362 WeakPolarHBondContact CA-O 3.41Å; H311-E362 PolarHBondContact CE1-N 3Å; H311-E362 PolarHBondContact CE1-O 2.88Å; H311-E363 WeakPolarHBondContact CE1-CA 3.43Å; H311-E363 WeakPolarHBondContact CE1-CB 3.25Å; H311-E363 PolarHBondContact CE1-N 2.83Å; H311-E363 WeakPolarHBondContact ND1-CA 3.37Å; H311-E363 PolarHBondContact ND1-N 3.08Å; H311-E363 WeakPolarHBondContact NE2-CB 3.49Å; H311-E363 IonicContact NE2-OE2 2.77Å; H311-E363 PolarHBondContact NE2-OE2 3.02Å |
| 312 | R | 95.7 | Very high | 92.4 | Very high | 78 Ų | 78 | 75.8 Ų | 75.8 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 134.4 | 163.8 | 175.6 | 172.8 | 55.1 | -125.6 | 3.5 | 108.8 | T314 I333 E362 I364 | R312-T314 PolarHBondContact O-N 2.94Å; R312-I333 HydrophobicContact CB-CD1 3.95Å; R312-I333 HydrophobicContact CG-CD1 4.2Å; R312-E362 IonicContact CZ-OE2 2.96Å; R312-E362 VanDerWaalsContact CZ-OE2 3.26Å; R312-E362 PolarHBondContact N-O 3.19Å; R312-E362 IonicContact NE-OE2 2.71Å; R312-E362 PolarHBondContact NE-OE2 3.21Å; R312-E362 IonicContact NH2-OE1 3.94Å; R312-E362 PolarHBondContact NH2-OE1 3.29Å; R312-E362 IonicContact NH2-OE2 2.65Å; R312-E362 PolarHBondContact NH2-OE2 3.4Å; R312-E362 PolarHBondContact O-N 3.45Å; R312-I364 HydrophobicContact CB-CG2 4.11Å |
| 313 | V | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 116 | 176.9 | 176.6 | 0 | 0 | 0 | 0 | 109.7 | R315 L328 K329 K330 D331 Q332 V334 F356 F360 L361 | V313-R315 WeakPolarHBondContact CG1-O 3.48Å; V313-L328 HydrophobicContact CG1-CB 4.38Å; V313-L328 HydrophobicContact CG2-CB 4.03Å; V313-L328 HydrophobicContact CG2-CD1 3.7Å; V313-K329 WeakPolarHBondContact CB-O 3.42Å; V313-K329 VanDerWaalsContact CG1-O 3.28Å; V313-K329 WeakPolarHBondContact CG1-O 3.17Å; V313-K330 CarbonylContact O-C 3.18Å; V313-K330 WeakPolarHBondContact O-CA 3.42Å; V313-D331 PolarHBondContact O-N 3.49Å; V313-Q332 HydrophobicContact CG2-CB 4.25Å; V313-Q332 WeakPolarHBondContact CG2-O 2.98Å; V313-Q332 PolarHBondContact N-O 2.92Å; V313-V334 HydrophobicContact CG2-CG1 4.49Å; V313-F356 HydrophobicContact CG1-CE1 3.96Å; V313-F356 HydrophobicContact CG1-CZ 3.68Å; V313-F356 HydrophobicContact CG2-CE1 4.23Å; V313-F356 HydrophobicContact CG2-CZ 4.36Å; V313-F360 CarbonylContact C-O 3.55Å; V313-F360 WeakPolarHBondContact CA-O 3.3Å; V313-L361 HydrophobicContact CG2-CD2 3.78Å |
| 314 | T | 96.2 | Very high | 92.3 | Very high | 53 Ų | 53 | 76.7 Ų | 76.7 | 33% | 0.325 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -80.5 | -25.7 | -178.7 | 62.4 | 0 | 0 | 0 | 0 | 112.8 | R312 K330 F360 E362 | R312-T314 PolarHBondContact O-N 2.94Å; T314-K330 WeakPolarHBondContact O-CD 3.2Å; T314-K330 WeakPolarHBondContact O-CG 3.29Å; T314-F360 PolarHBondContact N-O 2.9Å; T314-F360 VanDerWaalsContact OG1-C 3.26Å; T314-F360 WeakPolarHBondContact OG1-CA 3.19Å; T314-F360 PolarHBondContact OG1-O 2.99Å; T314-E362 HydrophobicContact CG2-CB 3.48Å; T314-E362 VanDerWaalsContact CG2-CB 3.48Å |
| 315 | R | 94.9 | Very high | 92.4 | Very high | 157 Ų | 157 | 78 Ų | 78 | 59% | 0.592 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -141.9 | 133.8 | -178 | -169 | -178.5 | -63.5 | -154.4 | 1 | 111.4 | V313 F317 F360 | V313-R315 WeakPolarHBondContact CG1-O 3.48Å; R315-F317 PolarHBondContact O-N 3.27Å; R315-F360 HydrophobicContact CB-CB 4.2Å; R315-F360 HydrophobicContact CB-CD1 3.9Å; R315-F360 HydrophobicContact CB-CG 3.99Å |
| 316 | S | 95.4 | Very high | 92.7 | Very high | 73 Ų | 73 | 71.1 Ų | 71.1 | 51% | 0.51 | 38% | 0.38 | S | S | . | . | trans | -61.1 | 131 | 170.5 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | L328 K330 | S316-L328 WeakPolarHBondContact CA-O 3.44Å; S316-K330 PolarHBondContact OG-N 3.26Å | ||
| 317 | F | 95.5 | Very high | 93.3 | Very high | 42 Ų | 42 | 70.7 Ų | 70.7 | 18% | 0.184 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -138.8 | 140.4 | 178.5 | 168.1 | -97.8 | 0 | 0 | 0 | 110.2 | R315 G319 T327 L328 Y344 F356 P357 F360 | R315-F317 PolarHBondContact O-N 3.27Å; F317-G319 VanDerWaalsContact CE1-CA 3.47Å; F317-T327 VanDerWaalsContact O-CA 3.27Å; F317-T327 WeakPolarHBondContact O-CA 3.48Å; F317-L328 PolarHBondContact N-O 3.05Å; F317-L328 PolarHBondContact O-N 3Å; F317-Y344 HydrophobicContact CE1-CE1 4.48Å; F317-Y344 HydrophobicContact CZ-CE1 4.4Å; F317-F356 HydrophobicContact CB-CE2 3.67Å; F317-F356 HydrophobicContact CB-CZ 3.84Å; F317-F356 AromaticContact CD1-CD2 3.9Å; F317-F356 HydrophobicContact CD1-CD2 3.9Å; F317-F356 AromaticContact CD1-CE2 3.71Å; F317-F356 HydrophobicContact CD1-CE2 3.71Å; F317-F356 HydrophobicContact CG-CE2 4.15Å; F317-P357 HydrophobicContact CD1-CG 3.94Å; F317-P357 HydrophobicContact CD2-CG 4.22Å; F317-P357 HydrophobicContact CE1-CG 3.86Å; F317-P357 HydrophobicContact CE2-CG 4.15Å; F317-P357 HydrophobicContact CG-CG 4.12Å; F317-P357 HydrophobicContact CZ-CG 3.97Å; F317-F360 HydrophobicContact CB-CD2 3.79Å; F317-F360 HydrophobicContact CB-CE2 4.12Å; F317-F360 HydrophobicContact CD2-CD2 4.23Å; F317-F360 AromaticContact CD2-CE2 3.82Å; F317-F360 HydrophobicContact CD2-CE2 3.82Å; F317-F360 HydrophobicContact CG-CD2 4.12Å; F317-F360 HydrophobicContact CG-CE2 4.18Å |
| 318 | V | 95.4 | Very high | 93.8 | Very high | 117 Ų | 117 | 66.9 Ų | 66.9 | 71% | 0.709 | 33% | 0.33 | S | S | * | . | trans | -104 | 107.2 | 179 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | T327 | V318-T327 WeakPolarHBondContact CA-OG1 3.42Å; V318-T327 HydrophobicContact CB-CG2 4.4Å; V318-T327 HydrophobicContact CG1-CG2 4.45Å; V318-T327 HydrophobicContact CG2-CG2 4.12Å | ||
| 319 | G | 92.7 | Very high | 94 | Very high | 10 Ų | 10 | 72.1 Ų | 72.1 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | trans | -87.8 | 143.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F317 R321 T327 | F317-G319 VanDerWaalsContact CE1-CA 3.47Å; G319-R321 PolarHBondContact O-N 2.97Å; G319-T327 PolarHBondContact N-OG1 2.92Å | ||
| 320 | N | 93.2 | Very high | 94.2 | Very high | 71 Ų | 71 | 72.7 Ų | 72.7 | 38% | 0.38 | 36% | 0.357 | S | S | . | . | trans | -73.5 | 113.3 | 170.5 | -179.2 | -1.9 | 0 | 0 | 0 | 110.9 | E322 I323 Q325 | N320-E322 VanDerWaalsContact C-N 3.29Å; N320-E322 PolarHBondContact O-N 3.06Å; N320-E322 WeakPolarHBondContact OD1-CB 3.46Å; N320-E322 PolarHBondContact OD1-N 3.32Å; N320-I323 HydrophobicContact CB-CD1 4.06Å; N320-I323 HydrophobicContact CB-CG1 3.84Å; N320-I323 VanDerWaalsContact O-CG1 3.23Å; N320-I323 WeakPolarHBondContact O-CG1 3.17Å; N320-I323 PolarHBondContact O-N 2.8Å; N320-Q325 WeakPolarHBondContact O-CB 3.32Å; N320-Q325 PolarHBondContact O-N 2.91Å | ||
| 321 | R | 91.1 | Very high | 94.2 | Very high | 226 Ų | 226 | 76.8 Ų | 76.8 | 85% | 0.853 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -66 | -25.8 | -177.5 | -169.9 | 175.3 | 176.2 | -172.4 | -2.5 | 113.7 | G319 I323 G324 | G319-R321 PolarHBondContact O-N 2.97Å; R321-I323 VanDerWaalsContact C-N 3.35Å; R321-G324 PolarHBondContact O-N 2.9Å; R321-G324 VanDerWaalsContact O-N 3.14Å |
| 322 | E | 90.8 | Very high | 94.1 | Very high | 179 Ų | 179 | 78.5 Ų | 78.5 | 84% | 0.836 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -66.2 | -37.9 | -180 | -61 | -179.9 | 157.1 | 0 | 0 | 112.1 | N320 G324 | N320-E322 VanDerWaalsContact C-N 3.29Å; N320-E322 PolarHBondContact O-N 3.06Å; N320-E322 WeakPolarHBondContact OD1-CB 3.46Å; N320-E322 PolarHBondContact OD1-N 3.32Å; E322-G324 VanDerWaalsContact C-N 3.27Å |
| 323 | I | 90.7 | Very high | 94.1 | Very high | 104 Ų | 104 | 75 Ų | 75 | 53% | 0.533 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -90.7 | 13.6 | 174.7 | 59.1 | 172.6 | 0 | 0 | 0 | 112.6 | N320 R321 Q325 | N320-I323 HydrophobicContact CB-CD1 4.06Å; N320-I323 HydrophobicContact CB-CG1 3.84Å; N320-I323 VanDerWaalsContact O-CG1 3.23Å; N320-I323 WeakPolarHBondContact O-CG1 3.17Å; N320-I323 PolarHBondContact O-N 2.8Å; R321-I323 VanDerWaalsContact C-N 3.35Å; I323-Q325 VanDerWaalsContact C-N 3.32Å; I323-Q325 HydrophobicContact CD1-CG 4.04Å; I323-Q325 HydrophobicContact CG1-CG 4.01Å; I323-Q325 PolarHBondContact O-N 3.38Å |
| 324 | G | 90.9 | Very high | 94.1 | Very high | 37 Ų | 37 | 75.1 Ų | 75.1 | 38% | 0.381 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 14.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | R321 E322 G354 L355 | R321-G324 PolarHBondContact O-N 2.9Å; R321-G324 VanDerWaalsContact O-N 3.14Å; E322-G324 VanDerWaalsContact C-N 3.27Å; G324-G354 CarbonylContact O-C 3.45Å; G324-G354 VanDerWaalsContact O-CA 3.3Å; G324-G354 WeakPolarHBondContact O-CA 3.08Å; G324-L355 PolarHBondContact O-N 3.04Å |
| 325 | Q | 94.6 | Very high | 94 | Very high | 28 Ų | 28 | 72.6 Ų | 72.6 | 13% | 0.131 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -75.5 | 161 | 171.1 | -65.7 | 173.5 | -5.4 | 0 | 0 | 111.7 | N320 I323 Y344 L355 | N320-Q325 WeakPolarHBondContact O-CB 3.32Å; N320-Q325 PolarHBondContact O-N 2.91Å; I323-Q325 VanDerWaalsContact C-N 3.32Å; I323-Q325 HydrophobicContact CD1-CG 4.04Å; I323-Q325 HydrophobicContact CG1-CG 4.01Å; I323-Q325 PolarHBondContact O-N 3.38Å; Q325-Y344 HydrophobicContact CG-CD1 4.31Å; Q325-Y344 HydrophobicContact CG-CE1 4.04Å; Q325-Y344 PolarHBondContact NE2-OH 3.38Å; Q325-L355 CarbonylContact C-O 3.57Å; Q325-L355 WeakPolarHBondContact CA-O 3.24Å; Q325-L355 WeakPolarHBondContact CB-O 3.3Å; Q325-L355 HydrophobicContact CG-CB 4.12Å |
| 326 | I | 94.9 | Very high | 94 | Very high | 12 Ų | 12 | 65.6 Ų | 65.6 | 6% | 0.062 | 33% | 0.333 | C | S | . | . | trans | -126.1 | 135.3 | -174 | -170 | 163.4 | 0 | 0 | 0 | 111.9 | L328 V347 T349 K352 L355 F356 | I326-L328 HydrophobicContact CD1-CD2 4.21Å; I326-L328 HydrophobicContact CG1-CD2 4.04Å; I326-L328 HydrophobicContact CG2-CD1 4.35Å; I326-L328 HydrophobicContact CG2-CD2 4.44Å; I326-L328 HydrophobicContact CG2-CG 4.17Å; I326-V347 HydrophobicContact CG2-CG2 4.02Å; I326-T349 HydrophobicContact CD1-CG2 4.04Å; I326-K352 HydrophobicContact CD1-CB 3.93Å; I326-K352 HydrophobicContact CD1-CD 3.51Å; I326-K352 HydrophobicContact CD1-CG 3.6Å; I326-K352 HydrophobicContact CG1-CD 3.92Å; I326-L355 PolarHBondContact N-O 2.84Å; I326-F356 HydrophobicContact CG2-CB 4.02Å; I326-F356 HydrophobicContact CG2-CD2 4.07Å; I326-F356 WeakPolarHBondContact O-CD2 3.26Å | ||
| 327 | T | 95.2 | Very high | 93.8 | Very high | 63 Ų | 63 | 64.9 Ų | 64.9 | 39% | 0.387 | 32% | 0.321 | S | S | . | . | trans | -80.2 | 121.9 | 171.2 | -59.1 | 0 | 0 | 0 | 0 | 110.4 | F317 V318 G319 K352 | F317-T327 VanDerWaalsContact O-CA 3.27Å; F317-T327 WeakPolarHBondContact O-CA 3.48Å; V318-T327 WeakPolarHBondContact CA-OG1 3.42Å; V318-T327 HydrophobicContact CB-CG2 4.4Å; V318-T327 HydrophobicContact CG1-CG2 4.45Å; V318-T327 HydrophobicContact CG2-CG2 4.12Å; G319-T327 PolarHBondContact N-OG1 2.92Å; T327-K352 PolarHBondContact O-NZ 2.97Å | ||
| 328 | L | 95.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -127.1 | 152.1 | 174.1 | -53.9 | 177.1 | 0 | 0 | 0 | 110.4 | V313 S316 F317 I326 V334 V347 T349 F356 | V313-L328 HydrophobicContact CG1-CB 4.38Å; V313-L328 HydrophobicContact CG2-CB 4.03Å; V313-L328 HydrophobicContact CG2-CD1 3.7Å; S316-L328 WeakPolarHBondContact CA-O 3.44Å; F317-L328 PolarHBondContact N-O 3.05Å; F317-L328 PolarHBondContact O-N 3Å; I326-L328 HydrophobicContact CD1-CD2 4.21Å; I326-L328 HydrophobicContact CG1-CD2 4.04Å; I326-L328 HydrophobicContact CG2-CD1 4.35Å; I326-L328 HydrophobicContact CG2-CD2 4.44Å; I326-L328 HydrophobicContact CG2-CG 4.17Å; L328-V334 HydrophobicContact CD1-CG1 3.74Å; L328-V334 HydrophobicContact CD2-CG1 4.38Å; L328-V347 HydrophobicContact CD1-CG2 4.04Å; L328-T349 HydrophobicContact CD2-CG2 3.5Å; L328-F356 HydrophobicContact CB-CD2 4.14Å; L328-F356 HydrophobicContact CB-CE2 3.53Å; L328-F356 HydrophobicContact CB-CZ 3.94Å; L328-F356 HydrophobicContact CD1-CB 4.38Å; L328-F356 HydrophobicContact CD1-CD1 4.14Å; L328-F356 HydrophobicContact CD1-CD2 3.53Å; L328-F356 HydrophobicContact CD1-CE1 4.27Å; L328-F356 HydrophobicContact CD1-CE2 3.7Å; L328-F356 HydrophobicContact CD1-CG 3.75Å; L328-F356 HydrophobicContact CD1-CZ 4.07Å; L328-F356 HydrophobicContact CG-CD2 3.73Å; L328-F356 HydrophobicContact CG-CE2 3.67Å; L328-F356 HydrophobicContact CG-CG 4.45Å; L328-F356 HydrophobicContact CG-CZ 4.35Å |
| 329 | K | 95.1 | Very high | 93.1 | Very high | 143 Ų | 143 | 66 Ų | 66 | 62% | 0.622 | 34% | 0.335 | S | S | * | . | trans | -96.2 | 154.3 | 173.2 | -63.1 | -174.3 | 178.5 | -174.4 | 0 | 110 | V313 Q332 | V313-K329 WeakPolarHBondContact CB-O 3.42Å; V313-K329 VanDerWaalsContact CG1-O 3.28Å; V313-K329 WeakPolarHBondContact CG1-O 3.17Å; K329-Q332 HydrophobicContact CB-CG 4.12Å; K329-Q332 WeakPolarHBondContact O-CB 3.4Å; K329-Q332 WeakPolarHBondContact O-CG 3.35Å; K329-Q332 PolarHBondContact O-N 2.92Å | ||
| 330 | K | 94.9 | Very high | 93 | Very high | 108 Ų | 108 | 70.6 Ų | 70.6 | 47% | 0.47 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 147.6 | 166.3 | -172.8 | 178.2 | 174 | -75.5 | 0 | 111 | V313 T314 S316 Q332 | V313-K330 CarbonylContact O-C 3.18Å; V313-K330 WeakPolarHBondContact O-CA 3.42Å; T314-K330 WeakPolarHBondContact O-CD 3.2Å; T314-K330 WeakPolarHBondContact O-CG 3.29Å; S316-K330 PolarHBondContact OG-N 3.26Å; K330-Q332 PolarHBondContact O-N 2.95Å; K330-Q332 VanDerWaalsContact O-N 3.15Å |
| 331 | D | 93.5 | Very high | 92.8 | Very high | 87 Ų | 87 | 70.8 Ų | 70.8 | 47% | 0.465 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 7.6 | 179.5 | -49.2 | -46.9 | 0 | 0 | 0 | 114.9 | V313 | V313-D331 PolarHBondContact O-N 3.49Š|
| 332 | Q | 94.4 | Very high | 92.6 | Very high | 58 Ų | 58 | 63.9 Ų | 63.9 | 27% | 0.271 | 37% | 0.365 | S | S | . | . | trans | -74.2 | 140.5 | 168.4 | -68.9 | -167.9 | -41.7 | 0 | 0 | 111.4 | V313 K329 K330 | V313-Q332 HydrophobicContact CG2-CB 4.25Å; V313-Q332 WeakPolarHBondContact CG2-O 2.98Å; V313-Q332 PolarHBondContact N-O 2.92Å; K329-Q332 HydrophobicContact CB-CG 4.12Å; K329-Q332 WeakPolarHBondContact O-CB 3.4Å; K329-Q332 WeakPolarHBondContact O-CG 3.35Å; K329-Q332 PolarHBondContact O-N 2.92Å; K330-Q332 PolarHBondContact O-N 2.95Å; K330-Q332 VanDerWaalsContact O-N 3.15Å | ||
| 333 | I | 95.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 135.6 | 175.5 | -51.1 | -55.7 | 0 | 0 | 0 | 109.9 | V253 L255 P270 V310 H311 R312 I364 | V253-I333 HydrophobicContact CG1-CG2 4.15Å; L255-I333 HydrophobicContact CD2-CB 4.16Å; L255-I333 HydrophobicContact CD2-CG2 4.37Å; L255-I333 WeakPolarHBondContact CD2-O 3.5Å; P270-I333 HydrophobicContact CB-CD1 4.3Å; P270-I333 HydrophobicContact CB-CG1 3.8Å; V310-I333 HydrophobicContact CG1-CG2 3.64Å; H311-I333 WeakPolarHBondContact O-CA 3.29Å; R312-I333 HydrophobicContact CB-CD1 3.95Å; R312-I333 HydrophobicContact CG-CD1 4.2Å; I333-I364 HydrophobicContact CD1-CD1 4.03Å; I333-I364 HydrophobicContact CG2-CD1 4.26Å |
| 334 | V | 95.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 151.7 | 178.8 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | H311 V313 L328 V347 T349 L361 | H311-V334 HydrophobicContact CB-CG2 4.16Å; H311-V334 PolarHBondContact N-O 2.86Å; H311-V334 PolarHBondContact O-N 3.3Å; V313-V334 HydrophobicContact CG2-CG1 4.49Å; L328-V334 HydrophobicContact CD1-CG1 3.74Å; L328-V334 HydrophobicContact CD2-CG1 4.38Å; V334-V347 HydrophobicContact CB-CB 4.02Å; V334-V347 HydrophobicContact CG2-CB 3.86Å; V334-V347 HydrophobicContact CG2-CG1 3.9Å; V334-V347 HydrophobicContact CG2-CG2 4.36Å; V334-T349 HydrophobicContact CG1-CG2 3.81Å; V334-L361 HydrophobicContact CG2-CD2 3.86Å |
| 335 | V | 95 | Very high | 93 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.1 | 175.8 | 178 | 0 | 0 | 0 | 0 | 109.4 | I302 V304 E308 R309 V310 K337 V347 Y348 | I302-V335 HydrophobicContact CB-CG2 4.47Å; I302-V335 HydrophobicContact CD1-CB 4.16Å; I302-V335 HydrophobicContact CD1-CG2 3.62Å; I302-V335 HydrophobicContact CG1-CG2 3.86Å; I302-V335 HydrophobicContact CG2-CG2 3.76Å; V304-V335 HydrophobicContact CG1-CG1 4.37Å; V304-V335 HydrophobicContact CG2-CG2 3.94Å; E308-V335 HydrophobicContact CB-CG1 3.86Å; R309-V335 WeakPolarHBondContact O-CA 3.35Å; V310-V335 HydrophobicContact CG1-CG2 4.43Å; V310-V335 HydrophobicContact CG2-CG2 4.35Å; V335-K337 HydrophobicContact CG1-CD 4.22Å; V335-V347 CarbonylContact O-C 3.56Å; V335-V347 WeakPolarHBondContact O-CA 3.49Å; V335-Y348 PolarHBondContact N-O 2.87Å; V335-Y348 PolarHBondContact O-N 3.03Å |
| 336 | Q | 94.7 | Very high | 93 | Very high | 10 Ų | 10 | 57.2 Ų | 57.2 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 133.3 | 173.1 | 171.7 | 167.9 | 4.8 | 0 | 0 | 110.6 | R309 G338 V345 | R309-Q336 HydrophobicContact CB-CB 4.25Å; R309-Q336 PolarHBondContact O-N 2.89Å; Q336-G338 WeakPolarHBondContact CG-O 3.33Å; Q336-G338 PolarHBondContact NE2-O 3.02Å; Q336-V345 HydrophobicContact CB-CG2 4.27Å; Q336-V345 HydrophobicContact CG-CG2 3.49Å; Q336-V345 VanDerWaalsContact CG-CG2 3.49Å; Q336-V345 VanDerWaalsContact NE2-CG2 3.33Å |
| 337 | K | 91.3 | Very high | 93 | Very high | 58 Ų | 58 | 56.6 Ų | 56.6 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 76.9 | -177.6 | -62 | -61.1 | -170.9 | -175.7 | 0 | 110.6 | E308 V335 K346 | E308-K337 HydrophobicContact CG-CD 4.5Å; E308-K337 IonicContact OE1-NZ 2.84Å; E308-K337 PolarHBondContact OE1-NZ 2.84Å; E308-K337 IonicContact OE2-NZ 3.28Å; E308-K337 PolarHBondContact OE2-NZ 2.84Å; V335-K337 HydrophobicContact CG1-CD 4.22Å; K337-K346 PolarHBondContact N-O 3.21Å |
| 338 | G | 87.4 | Confident | 93 | Very high | 46 Ų | 46 | 57.4 Ų | 57.4 | 47% | 0.474 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 106.7 | 174.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q336 | Q336-G338 WeakPolarHBondContact CG-O 3.33Å; Q336-G338 PolarHBondContact NE2-O 3.02Å |
| 339 | D | 88.6 | Confident | 92.8 | Very high | 136 Ų | 136 | 58 Ų | 58 | 73% | 0.727 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 166.2 | -173.2 | -55.5 | -68.6 | 0 | 0 | 0 | 113.5 | ||
| 340 | E | 91.1 | Very high | 92.4 | Very high | 107 Ų | 107 | 52.4 Ų | 52.4 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 136.4 | 174.5 | -169 | -171.2 | 142.9 | 0 | 0 | 110.5 | G343 V345 A358 | E340-G343 WeakPolarHBondContact OE1-CA 3.35Å; E340-V345 HydrophobicContact CB-CB 4.49Å; E340-V345 HydrophobicContact CG-CB 4.42Å; E340-A358 VanDerWaalsContact CD-CB 3.48Å; E340-A358 HydrophobicContact CG-CB 4.1Å |
| 341 | A | 88.4 | Confident | 92.1 | Very high | 75 Ų | 75 | 56.2 Ų | 56.2 | 62% | 0.62 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 117.5 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | G343 Y344 | A341-G343 PolarHBondContact O-N 2.92Å; A341-Y344 PolarHBondContact N-O 3.45Å; A341-Y344 PolarHBondContact O-N 3.31Å |
| 342 | G | 86.9 | Confident | 92 | Very high | 81 Ų | 81 | 56.2 Ų | 56.2 | 84% | 0.835 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 36.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y344 | G342-Y344 WeakPolarHBondContact O-CD2 3.42Å; G342-Y344 PolarHBondContact O-N 3.3Å |
| 343 | G | 90.9 | Very high | 91.9 | Very high | 28 Ų | 28 | 57.5 Ų | 57.5 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 0.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E340 A341 P357 A358 | E340-G343 WeakPolarHBondContact OE1-CA 3.35Å; A341-G343 PolarHBondContact O-N 2.92Å; G343-P357 WeakPolarHBondContact O-CA 3.26Å; G343-A358 PolarHBondContact O-N 3.05Å |
| 344 | Y | 94.4 | Very high | 91.9 | Very high | 72 Ų | 72 | 57.6 Ų | 57.6 | 28% | 0.282 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 139.6 | 174.7 | -72 | -96.7 | 0 | 0 | 0 | 110.9 | F317 Q325 A341 G342 L355 F356 P357 | F317-Y344 HydrophobicContact CE1-CE1 4.48Å; F317-Y344 HydrophobicContact CZ-CE1 4.4Å; Q325-Y344 HydrophobicContact CG-CD1 4.31Å; Q325-Y344 HydrophobicContact CG-CE1 4.04Å; Q325-Y344 PolarHBondContact NE2-OH 3.38Å; A341-Y344 PolarHBondContact N-O 3.45Å; A341-Y344 PolarHBondContact O-N 3.31Å; G342-Y344 WeakPolarHBondContact O-CD2 3.42Å; G342-Y344 PolarHBondContact O-N 3.3Å; Y344-L355 HydrophobicContact CD1-CB 4.26Å; Y344-F356 WeakPolarHBondContact CA-O 3.18Å; Y344-P357 HydrophobicContact CD1-CG 4.21Å; Y344-P357 HydrophobicContact CE1-CB 4.43Å; Y344-P357 HydrophobicContact CE1-CG 3.65Å |
| 345 | V | 95.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.024 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 142.7 | 174.9 | 54.9 | 0 | 0 | 0 | 0 | 109.8 | Q336 E340 V347 F356 A358 L361 | Q336-V345 HydrophobicContact CB-CG2 4.27Å; Q336-V345 HydrophobicContact CG-CG2 3.49Å; Q336-V345 VanDerWaalsContact CG-CG2 3.49Å; Q336-V345 VanDerWaalsContact NE2-CG2 3.33Å; E340-V345 HydrophobicContact CB-CB 4.49Å; E340-V345 HydrophobicContact CG-CB 4.42Å; V345-V347 HydrophobicContact CG1-CG1 4.07Å; V345-V347 HydrophobicContact CG2-CG1 4.43Å; V345-V347 PolarHBondContact O-N 2.98Å; V345-F356 WeakPolarHBondContact CG1-O 3.22Å; V345-F356 PolarHBondContact N-O 3.46Å; V345-F356 PolarHBondContact O-N 2.86Å; V345-A358 HydrophobicContact CG1-CB 4.31Å; V345-L361 HydrophobicContact CG1-CD1 3.31Å |
| 346 | K | 95.1 | Very high | 91.9 | Very high | 104 Ų | 104 | 60.6 Ų | 60.6 | 45% | 0.452 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 118.1 | 177.3 | -170.2 | 174.6 | -171.4 | 172.4 | 0 | 109.6 | K337 V353 G354 L355 | K337-K346 PolarHBondContact N-O 3.21Å; K346-V353 HydrophobicContact CD-CG2 4.45Å; K346-V353 HydrophobicContact CG-CG2 4.03Å; K346-G354 WeakPolarHBondContact CA-O 3.32Å; K346-L355 HydrophobicContact CB-CD2 4.1Å |
| 347 | V | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 153.2 | -175.9 | -62.9 | 0 | 0 | 0 | 0 | 111.9 | I326 L328 V334 V335 V345 V353 G354 F356 L361 | I326-V347 HydrophobicContact CG2-CG2 4.02Å; L328-V347 HydrophobicContact CD1-CG2 4.04Å; V334-V347 HydrophobicContact CB-CB 4.02Å; V334-V347 HydrophobicContact CG2-CB 3.86Å; V334-V347 HydrophobicContact CG2-CG1 3.9Å; V334-V347 HydrophobicContact CG2-CG2 4.36Å; V335-V347 CarbonylContact O-C 3.56Å; V335-V347 WeakPolarHBondContact O-CA 3.49Å; V345-V347 HydrophobicContact CG1-CG1 4.07Å; V345-V347 HydrophobicContact CG2-CG1 4.43Å; V345-V347 PolarHBondContact O-N 2.98Å; V347-V353 WeakPolarHBondContact O-CA 3.48Å; V347-V353 WeakPolarHBondContact O-CG2 3.12Å; V347-G354 PolarHBondContact N-O 2.79Å; V347-G354 PolarHBondContact O-N 2.59Å; V347-G354 VanDerWaalsContact O-N 3.09Å; V347-F356 HydrophobicContact CG2-CB 3.61Å; V347-F356 HydrophobicContact CG2-CG 4.45Å; V347-L361 HydrophobicContact CG1-CD1 3.86Å |
| 348 | Y | 94.4 | Very high | 92.1 | Very high | 80 Ų | 80 | 58.7 Ų | 58.7 | 31% | 0.314 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127.8 | -179 | 175.1 | -123 | 0 | 0 | 0 | 111 | I302 V335 G350 K352 V353 | I302-Y348 HydrophobicContact CD1-CD1 3.73Å; I302-Y348 HydrophobicContact CD1-CE1 3.98Å; I302-Y348 HydrophobicContact CG1-CE1 4.49Å; V335-Y348 PolarHBondContact N-O 2.87Å; V335-Y348 PolarHBondContact O-N 3.03Å; Y348-G350 VanDerWaalsContact CZ-C 3.48Å; Y348-G350 VanDerWaalsContact CZ-CA 3.43Å; Y348-G350 PolarHBondContact OH-O 3.45Å; Y348-K352 WeakPolarHBondContact CA-O 3.25Å; Y348-K352 WeakPolarHBondContact CD2-O 3.45Å; Y348-V353 HydrophobicContact CD2-CB 4.16Å |
| 349 | T | 92 | Very high | 92.5 | Very high | 14 Ų | 14 | 63 Ų | 63 | 9% | 0.086 | 35% | 0.35 | C | S | . | . | trans | -100.9 | 16.1 | -174 | 85.6 | 0 | 0 | 0 | 0 | 113.3 | I326 L328 V334 R351 K352 | I326-T349 HydrophobicContact CD1-CG2 4.04Å; L328-T349 HydrophobicContact CD2-CG2 3.5Å; V334-T349 HydrophobicContact CG1-CG2 3.81Å; T349-R351 PolarHBondContact O-N 3.18Å; T349-R351 VanDerWaalsContact O-N 3.12Å; T349-K352 HydrophobicContact CG2-CG 3.96Å; T349-K352 PolarHBondContact N-O 2.97Å; T349-K352 VanDerWaalsContact OG1-CG 3.23Å; T349-K352 WeakPolarHBondContact OG1-CG 3.49Å | ||
| 350 | G | 86.8 | Confident | 92.9 | Very high | 26 Ų | 26 | 58.6 Ų | 58.6 | 27% | 0.268 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 81.2 | -28.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y348 | Y348-G350 VanDerWaalsContact CZ-C 3.48Å; Y348-G350 VanDerWaalsContact CZ-CA 3.43Å; Y348-G350 PolarHBondContact OH-O 3.45Å |
| 351 | R | 87.9 | Confident | 93.1 | Very high | 188 Ų | 188 | 54.7 Ų | 54.7 | 71% | 0.709 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -114.2 | -36.9 | 179.7 | -54.2 | -174.4 | -165.3 | -172.2 | 3.5 | 113.9 | T349 | T349-R351 PolarHBondContact O-N 3.18Å; T349-R351 VanDerWaalsContact O-N 3.12Å |
| 352 | K | 90.8 | Very high | 93.4 | Very high | 88 Ų | 88 | 55.2 Ų | 55.2 | 38% | 0.383 | 30% | 0.296 | S | S | . | . | trans | -134.2 | 149.5 | -173.9 | 46.8 | 170.3 | -167.3 | 176.8 | 0 | 110.6 | I326 T327 Y348 T349 | I326-K352 HydrophobicContact CD1-CB 3.93Å; I326-K352 HydrophobicContact CD1-CD 3.51Å; I326-K352 HydrophobicContact CD1-CG 3.6Å; I326-K352 HydrophobicContact CG1-CD 3.92Å; T327-K352 PolarHBondContact O-NZ 2.97Å; Y348-K352 WeakPolarHBondContact CA-O 3.25Å; Y348-K352 WeakPolarHBondContact CD2-O 3.45Å; T349-K352 HydrophobicContact CG2-CG 3.96Å; T349-K352 PolarHBondContact N-O 2.97Å; T349-K352 VanDerWaalsContact OG1-CG 3.23Å; T349-K352 WeakPolarHBondContact OG1-CG 3.49Å | ||
| 353 | V | 93.2 | Very high | 93.7 | Very high | 85 Ų | 85 | 56.8 Ų | 56.8 | 52% | 0.515 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142 | 177.9 | 62.9 | 0 | 0 | 0 | 0 | 109.3 | K346 V347 Y348 | K346-V353 HydrophobicContact CD-CG2 4.45Å; K346-V353 HydrophobicContact CG-CG2 4.03Å; V347-V353 WeakPolarHBondContact O-CA 3.48Å; V347-V353 WeakPolarHBondContact O-CG2 3.12Å; Y348-V353 HydrophobicContact CD2-CB 4.16Å |
| 354 | G | 94.4 | Very high | 93.7 | Very high | 6 Ų | 6 | 58.4 Ų | 58.4 | 6% | 0.062 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.4 | -180 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G324 K346 V347 | G324-G354 CarbonylContact O-C 3.45Å; G324-G354 VanDerWaalsContact O-CA 3.3Å; G324-G354 WeakPolarHBondContact O-CA 3.08Å; K346-G354 WeakPolarHBondContact CA-O 3.32Å; V347-G354 PolarHBondContact N-O 2.79Å; V347-G354 PolarHBondContact O-N 2.59Å; V347-G354 VanDerWaalsContact O-N 3.09Å |
| 355 | L | 95.1 | Very high | 93.7 | Very high | 65 Ų | 65 | 57.8 Ų | 57.8 | 34% | 0.34 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 133.3 | 178.5 | -64 | 173.2 | 0 | 0 | 0 | 111.1 | G324 Q325 I326 Y344 K346 | G324-L355 PolarHBondContact O-N 3.04Å; Q325-L355 CarbonylContact C-O 3.57Å; Q325-L355 WeakPolarHBondContact CA-O 3.24Å; Q325-L355 WeakPolarHBondContact CB-O 3.3Å; Q325-L355 HydrophobicContact CG-CB 4.12Å; I326-L355 PolarHBondContact N-O 2.84Å; Y344-L355 HydrophobicContact CD1-CB 4.26Å; K346-L355 HydrophobicContact CB-CD2 4.1Å |
| 356 | F | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 143.9 | 179 | -165 | -100.5 | 0 | 0 | 0 | 110.2 | V313 F317 I326 L328 Y344 V345 V347 A358 F360 L361 | V313-F356 HydrophobicContact CG1-CE1 3.96Å; V313-F356 HydrophobicContact CG1-CZ 3.68Å; V313-F356 HydrophobicContact CG2-CE1 4.23Å; V313-F356 HydrophobicContact CG2-CZ 4.36Å; F317-F356 HydrophobicContact CB-CE2 3.67Å; F317-F356 HydrophobicContact CB-CZ 3.84Å; F317-F356 AromaticContact CD1-CD2 3.9Å; F317-F356 HydrophobicContact CD1-CD2 3.9Å; F317-F356 AromaticContact CD1-CE2 3.71Å; F317-F356 HydrophobicContact CD1-CE2 3.71Å; F317-F356 HydrophobicContact CG-CE2 4.15Å; I326-F356 HydrophobicContact CG2-CB 4.02Å; I326-F356 HydrophobicContact CG2-CD2 4.07Å; I326-F356 WeakPolarHBondContact O-CD2 3.26Å; L328-F356 HydrophobicContact CB-CD2 4.14Å; L328-F356 HydrophobicContact CB-CE2 3.53Å; L328-F356 HydrophobicContact CB-CZ 3.94Å; L328-F356 HydrophobicContact CD1-CB 4.38Å; L328-F356 HydrophobicContact CD1-CD1 4.14Å; L328-F356 HydrophobicContact CD1-CD2 3.53Å; L328-F356 HydrophobicContact CD1-CE1 4.27Å; L328-F356 HydrophobicContact CD1-CE2 3.7Å; L328-F356 HydrophobicContact CD1-CG 3.75Å; L328-F356 HydrophobicContact CD1-CZ 4.07Å; L328-F356 HydrophobicContact CG-CD2 3.73Å; L328-F356 HydrophobicContact CG-CE2 3.67Å; L328-F356 HydrophobicContact CG-CG 4.45Å; L328-F356 HydrophobicContact CG-CZ 4.35Å; Y344-F356 WeakPolarHBondContact CA-O 3.18Å; V345-F356 WeakPolarHBondContact CG1-O 3.22Å; V345-F356 PolarHBondContact N-O 3.46Å; V345-F356 PolarHBondContact O-N 2.86Å; V347-F356 HydrophobicContact CG2-CB 3.61Å; V347-F356 HydrophobicContact CG2-CG 4.45Å; F356-A358 PolarHBondContact O-N 3.23Å; F356-F360 HydrophobicContact CE1-CB 3.61Å; F356-F360 HydrophobicContact CZ-CB 4.09Å; F356-L361 HydrophobicContact CD1-CD1 3.98Å; F356-L361 HydrophobicContact CD1-CD2 3.67Å; F356-L361 HydrophobicContact CD1-CG 3.7Å; F356-L361 HydrophobicContact CE1-CD2 3.79Å; F356-L361 HydrophobicContact CE1-CG 4.02Å |
| 357 | P | 95.5 | Very high | 93.5 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 5% | 0.045 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 133.1 | 179.2 | -22.5 | 33.1 | 0 | 0 | 0 | 111.9 | F317 G343 Y344 D359 F360 | F317-P357 HydrophobicContact CD1-CG 3.94Å; F317-P357 HydrophobicContact CD2-CG 4.22Å; F317-P357 HydrophobicContact CE1-CG 3.86Å; F317-P357 HydrophobicContact CE2-CG 4.15Å; F317-P357 HydrophobicContact CG-CG 4.12Å; F317-P357 HydrophobicContact CZ-CG 3.97Å; G343-P357 WeakPolarHBondContact O-CA 3.26Å; Y344-P357 HydrophobicContact CD1-CG 4.21Å; Y344-P357 HydrophobicContact CE1-CB 4.43Å; Y344-P357 HydrophobicContact CE1-CG 3.65Å; P357-D359 VanDerWaalsContact C-N 3.31Å; P357-D359 PolarHBondContact O-N 2.86Å; P357-F360 HydrophobicContact CB-CD2 3.78Å; P357-F360 HydrophobicContact CB-CE2 4.16Å; P357-F360 HydrophobicContact CB-CG 4.3Å; P357-F360 HydrophobicContact CG-CD2 3.76Å; P357-F360 HydrophobicContact CG-CE2 4Å; P357-F360 PolarHBondContact O-N 2.88Å |
| 358 | A | 94.8 | Very high | 93.4 | Very high | 21 Ų | 21 | 61.6 Ų | 61.6 | 17% | 0.174 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -64.6 | -36.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E340 G343 V345 F356 F360 L361 | E340-A358 VanDerWaalsContact CD-CB 3.48Å; E340-A358 HydrophobicContact CG-CB 4.1Å; G343-A358 PolarHBondContact O-N 3.05Å; V345-A358 HydrophobicContact CG1-CB 4.31Å; F356-A358 PolarHBondContact O-N 3.23Å; A358-F360 PolarHBondContact O-N 3.28Å; A358-L361 PolarHBondContact O-N 2.95Å |
| 359 | D | 95 | Very high | 93.3 | Very high | 136 Ų | 136 | 60.4 Ų | 60.4 | 73% | 0.727 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -55.6 | -21.6 | 176.4 | -59.4 | -30.3 | 0 | 0 | 0 | 114.5 | P357 | P357-D359 VanDerWaalsContact C-N 3.31Å; P357-D359 PolarHBondContact O-N 2.86Å |
| 360 | F | 96 | Very high | 93.4 | Very high | 44 Ų | 44 | 63.5 Ų | 63.5 | 19% | 0.193 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -104.4 | 17.3 | -178.4 | -57.2 | -25.8 | 0 | 0 | 0 | 112.8 | V313 T314 R315 F317 F356 P357 A358 | V313-F360 CarbonylContact C-O 3.55Å; V313-F360 WeakPolarHBondContact CA-O 3.3Å; T314-F360 PolarHBondContact N-O 2.9Å; T314-F360 VanDerWaalsContact OG1-C 3.26Å; T314-F360 WeakPolarHBondContact OG1-CA 3.19Å; T314-F360 PolarHBondContact OG1-O 2.99Å; R315-F360 HydrophobicContact CB-CB 4.2Å; R315-F360 HydrophobicContact CB-CD1 3.9Å; R315-F360 HydrophobicContact CB-CG 3.99Å; F317-F360 HydrophobicContact CB-CD2 3.79Å; F317-F360 HydrophobicContact CB-CE2 4.12Å; F317-F360 HydrophobicContact CD2-CD2 4.23Å; F317-F360 AromaticContact CD2-CE2 3.82Å; F317-F360 HydrophobicContact CD2-CE2 3.82Å; F317-F360 HydrophobicContact CG-CD2 4.12Å; F317-F360 HydrophobicContact CG-CE2 4.18Å; F356-F360 HydrophobicContact CE1-CB 3.61Å; F356-F360 HydrophobicContact CZ-CB 4.09Å; P357-F360 HydrophobicContact CB-CD2 3.78Å; P357-F360 HydrophobicContact CB-CE2 4.16Å; P357-F360 HydrophobicContact CB-CG 4.3Å; P357-F360 HydrophobicContact CG-CD2 3.76Å; P357-F360 HydrophobicContact CG-CE2 4Å; P357-F360 PolarHBondContact O-N 2.88Å; A358-F360 PolarHBondContact O-N 3.28Å |
| 361 | L | 95.6 | Very high | 93.9 | Very high | 24 Ų | 24 | 66.2 Ų | 66.2 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 143 | 179.2 | -64.8 | 174.1 | 0 | 0 | 0 | 111.2 | H311 V313 V334 V345 V347 F356 A358 | H311-L361 HydrophobicContact CB-CB 3.95Å; H311-L361 HydrophobicContact CB-CD1 4.47Å; H311-L361 HydrophobicContact CB-CD2 3.94Å; H311-L361 HydrophobicContact CB-CG 4.34Å; V313-L361 HydrophobicContact CG2-CD2 3.78Å; V334-L361 HydrophobicContact CG2-CD2 3.86Å; V345-L361 HydrophobicContact CG1-CD1 3.31Å; V347-L361 HydrophobicContact CG1-CD1 3.86Å; F356-L361 HydrophobicContact CD1-CD1 3.98Å; F356-L361 HydrophobicContact CD1-CD2 3.67Å; F356-L361 HydrophobicContact CD1-CG 3.7Å; F356-L361 HydrophobicContact CE1-CD2 3.79Å; F356-L361 HydrophobicContact CE1-CG 4.02Å; A358-L361 PolarHBondContact O-N 2.95Å |
| 362 | E | 95.6 | Very high | 94.4 | Very high | 86 Ų | 86 | 56.8 Ų | 56.8 | 40% | 0.402 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125.6 | 177.2 | 177.2 | -170 | -170.5 | 0 | 0 | 107.9 | H311 R312 T314 | H311-E362 CarbonylContact C-O 3.46Å; H311-E362 WeakPolarHBondContact CA-O 3.41Å; H311-E362 PolarHBondContact CE1-N 3Å; H311-E362 PolarHBondContact CE1-O 2.88Å; R312-E362 IonicContact CZ-OE2 2.96Å; R312-E362 VanDerWaalsContact CZ-OE2 3.26Å; R312-E362 PolarHBondContact N-O 3.19Å; R312-E362 IonicContact NE-OE2 2.71Å; R312-E362 PolarHBondContact NE-OE2 3.21Å; R312-E362 IonicContact NH2-OE1 3.94Å; R312-E362 PolarHBondContact NH2-OE1 3.29Å; R312-E362 IonicContact NH2-OE2 2.65Å; R312-E362 PolarHBondContact NH2-OE2 3.4Å; R312-E362 PolarHBondContact O-N 3.45Å; T314-E362 HydrophobicContact CG2-CB 3.48Å; T314-E362 VanDerWaalsContact CG2-CB 3.48Å |
| 363 | E | 93.8 | Very high | 94.7 | Very high | 115 Ų | 115 | 54.3 Ų | 54.3 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 145.6 | -178.5 | -168 | 168.5 | 167 | 0 | 0 | 112.6 | R309 V310 H311 | R309-E363 VanDerWaalsContact CD-OE1 3.31Å; R309-E363 WeakPolarHBondContact CD-OE1 2.94Å; R309-E363 WeakPolarHBondContact CD-OE2 3.11Å; R309-E363 IonicContact NE-OE2 3.26Å; V310-E363 WeakPolarHBondContact O-CA 3.25Å; H311-E363 WeakPolarHBondContact CE1-CA 3.43Å; H311-E363 WeakPolarHBondContact CE1-CB 3.25Å; H311-E363 PolarHBondContact CE1-N 2.83Å; H311-E363 WeakPolarHBondContact ND1-CA 3.37Å; H311-E363 PolarHBondContact ND1-N 3.08Å; H311-E363 WeakPolarHBondContact NE2-CB 3.49Å; H311-E363 IonicContact NE2-OE2 2.77Å; H311-E363 PolarHBondContact NE2-OE2 3.02Å |
| 364 | I | 90.6 | Very high | 94.8 | Very high | 62 Ų | 62 | 51.5 Ų | 51.5 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | trans | -135.8 | 0 | -172.4 | 60.3 | 162 | 0 | 0 | 0 | 116.3 | G271 K273 V310 R312 I333 | G271-I364 VanDerWaalsContact CA-CD1 3.45Å; K273-I364 VanDerWaalsContact NZ-C 3.27Å; K273-I364 PolarHBondContact NZ-O 3.34Å; K273-I364 PolarHBondContact NZ-OXT 2.85Å; V310-I364 HydrophobicContact CB-CG1 4.02Å; V310-I364 HydrophobicContact CG1-CD1 3.95Å; V310-I364 HydrophobicContact CG1-CG1 3.96Å; V310-I364 PolarHBondContact O-N 2.99Å; R312-I364 HydrophobicContact CB-CG2 4.11Å; I333-I364 HydrophobicContact CD1-CD1 4.03Å; I333-I364 HydrophobicContact CG2-CD1 4.26Å |
Retrieved 364 of 364 residues in 226.4 ms
(Link to these results)