| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.1 | Very low | 36.3 | Very low | 246 Ų | 246 | 148.3 Ų | 148.3 | 100% | 1.212 | 86% | 0.863 | S | S | * | * | 0 | 128.2 | 0 | -85.6 | 170.7 | 166.7 | 0 | 0 | 108.3 | |||||
| 2 | A | 36.6 | Very low | 36.8 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 79% | 0.793 | 86% | 0.857 | S | S | * | * | trans | 53.7 | 110.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 3 | M | 36.3 | Very low | 36.4 | Very low | 190 Ų | 190 | 152.2 Ų | 152.2 | 94% | 0.936 | 86% | 0.859 | S | S | * | * | cis | 51.8 | 106 | 48.4 | -64.9 | -66 | -139.9 | 0 | 0 | 115.1 | ||||
| 4 | A | 31.3 | Very low | 36.8 | Very low | 107 Ų | 107 | 148.9 Ų | 148.9 | 88% | 0.884 | 85% | 0.847 | S | S | * | * | -173.7 | 142.9 | 125.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 5 | S | 35.5 | Very low | 36.3 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 87% | 0.874 | 84% | 0.844 | S | S | * | * | trans | -98.4 | -178.1 | -162 | -111.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 6 | P | 55.9 | Low | 36.2 | Very low | 122 Ų | 122 | 148.6 Ų | 148.6 | 79% | 0.792 | 84% | 0.837 | S | S | * | * | trans | -105.6 | 178.9 | -150.8 | 42.2 | -36.9 | 0 | 0 | 0 | 114.9 | ||||
| 7 | A | 32 | Very low | 36 | Very low | 83 Ų | 83 | 148.2 Ų | 148.2 | 69% | 0.686 | 83% | 0.832 | S | S | * | * | trans | -147.4 | 114 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 8 | I | 36.1 | Very low | 35.8 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 90% | 0.903 | 83% | 0.827 | S | S | * | * | trans | 73.8 | 121.9 | 132.4 | -58.6 | 162.7 | 0 | 0 | 0 | 117.6 | ||||
| 9 | G | 30.8 | Very low | 36 | Very low | 62 Ų | 62 | 146.1 Ų | 146.1 | 64% | 0.639 | 82% | 0.823 | S | S | * | * | cis | -177.7 | 143.4 | 3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 10 | Q | 31.7 | Very low | 35.9 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | 56.6 | 108.4 | 133.2 | -58.8 | -87.3 | -13.9 | 0 | 0 | 119.9 | ||||
| 11 | R | 38.9 | Very low | 36.2 | Very low | 230 Ų | 230 | 144 Ų | 144 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -61.2 | 175.8 | 143 | -66 | 177.1 | 172 | 172.2 | -2.8 | 109.7 | ||||
| 12 | P | 42.2 | Very low | 36.6 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | cis | -144 | 179.2 | 16 | 33.2 | -7.3 | 0 | 0 | 0 | 117 | ||||
| 13 | Y | 31.1 | Very low | 36.5 | Very low | 226 Ų | 226 | 143.7 Ų | 143.7 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | trans | -38.4 | 175.1 | 162.7 | -79.8 | -89.3 | 0 | 0 | 0 | 117 | ||||
| 14 | P | 42.5 | Very low | 36.3 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | cis | -146.5 | -173.6 | 2.7 | 37.8 | -14.4 | 0 | 0 | 0 | 117.6 | ||||
| 15 | L | 30 | Very low | 36.5 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | 87.3 | 120.5 | 144.2 | -72.7 | -167.3 | 0 | 0 | 0 | 123.8 | ||||
| 16 | L | 34.3 | Very low | 36.3 | Very low | 141 Ų | 141 | 151.3 Ų | 151.3 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | 84 | 146.1 | 128 | -143.5 | 80.5 | 0 | 0 | 0 | 121.8 | |||||
| 17 | L | 33.1 | Very low | 35.2 | Very low | 142 Ų | 142 | 150.6 Ų | 150.6 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | 85.6 | 132.7 | 167.6 | -52.2 | 161.1 | 0 | 0 | 0 | 114.5 | ||||
| 18 | D | 31.6 | Very low | 35.4 | Very low | 140 Ų | 140 | 155.2 Ų | 155.2 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | cis | -170.2 | 164.3 | -13.5 | -117.8 | -25.9 | 0 | 0 | 0 | 104 | E20 | D18-E20 PolarHBondContact O-N 3.33Š| ||
| 19 | P | 40.4 | Very low | 35.4 | Very low | 115 Ų | 115 | 152.6 Ų | 152.6 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 118.8 | -175.6 | 29.9 | -30 | 0 | 0 | 0 | 112.2 | ||
| 20 | E | 34.1 | Very low | 35.6 | Very low | 150 Ų | 150 | 152.7 Ų | 152.7 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 132.9 | 171.7 | -129 | -155.9 | 148.8 | 0 | 0 | 110.5 | D18 R23 | D18-E20 PolarHBondContact O-N 3.33Å; E20-R23 IonicContact OE1-CZ 3.14Å; E20-R23 IonicContact OE1-NE 2.88Å; E20-R23 IonicContact OE1-NH2 2.73Å; E20-R23 PolarHBondContact OE1-NH2 3.17Å |
| 21 | P | 42.1 | Very low | 36 | Very low | 100 Ų | 100 | 149.8 Ų | 149.8 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 151.9 | 179.2 | 30.8 | -33.1 | 0 | 0 | 0 | 112 | R23 | P21-R23 PolarHBondContact O-N 3.13Š|
| 22 | P | 41.4 | Very low | 35.9 | Very low | 124 Ų | 124 | 147.7 Ų | 147.7 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 121.8 | 176.2 | 25.5 | -30.9 | 0 | 0 | 0 | 110.6 | Y24 | P22-Y24 PolarHBondContact O-N 3.12Š|
| 23 | R | 35.5 | Very low | 36.1 | Very low | 211 Ų | 211 | 149.6 Ų | 149.6 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 127.4 | 175.8 | -62.4 | -158.6 | -178.3 | -178.4 | 3.9 | 110.8 | E20 P21 L25 | E20-R23 IonicContact OE1-CZ 3.14Å; E20-R23 IonicContact OE1-NE 2.88Å; E20-R23 IonicContact OE1-NH2 2.73Å; E20-R23 PolarHBondContact OE1-NH2 3.17Å; P21-R23 PolarHBondContact O-N 3.13Å; R23-L25 PolarHBondContact O-N 3.14Å |
| 24 | Y | 32.3 | Very low | 37.4 | Very low | 221 Ų | 221 | 143.9 Ų | 143.9 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 124.1 | 166.5 | -75.2 | -94.9 | 0 | 0 | 0 | 109.7 | P22 Q26 | P22-Y24 PolarHBondContact O-N 3.12Å; Y24-Q26 PolarHBondContact O-N 3.12Å |
| 25 | L | 34.3 | Very low | 38.3 | Very low | 180 Ų | 180 | 144.3 Ų | 144.3 | 94% | 0.942 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 116.5 | 161.7 | -79.8 | 176.2 | 0 | 0 | 0 | 108.3 | R23 | R23-L25 PolarHBondContact O-N 3.14Š|
| 26 | Q | 33 | Very low | 39.5 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 136.2 | -177.5 | -153.5 | 154.9 | 0 | 0 | 0 | 110.1 | Y24 L28 | Y24-Q26 PolarHBondContact O-N 3.12Å; Q26-L28 PolarHBondContact O-N 3.34Å |
| 27 | S | 32.7 | Very low | 40.4 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -45.4 | 128.6 | 170.9 | -61 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 28 | L | 35 | Very low | 40.8 | Very low | 179 Ų | 179 | 140.8 Ų | 140.8 | 94% | 0.937 | 79% | 0.793 | S | S | * | * | trans | -103.1 | 92 | 155.8 | -71.4 | 175 | 0 | 0 | 0 | 107.9 | Q26 | Q26-L28 PolarHBondContact O-N 3.34Š| ||
| 29 | S | 35.4 | Very low | 40.9 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -68.6 | 119.3 | 157.1 | 38.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 30 | G | 35.8 | Very low | 40.7 | Very low | 64 Ų | 64 | 147.8 Ų | 147.8 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | trans | -142 | 147.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 31 | P | 41.1 | Very low | 40.6 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 150.2 | -152.8 | 28 | -34.2 | 0 | 0 | 0 | 115.3 | ||
| 32 | E | 37.2 | Very low | 40.3 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 129.1 | 176.8 | -167.9 | 175.5 | 118.8 | 0 | 0 | 113.6 | ||
| 33 | L | 44.4 | Very low | 40.1 | Very low | 163 Ų | 163 | 151.6 Ų | 151.6 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -87 | 133.8 | 166.4 | -86.4 | 159.1 | 0 | 0 | 0 | 109.2 | ||
| 34 | P | 59.5 | Low | 40.1 | Very low | 105 Ų | 105 | 149 Ų | 149 | 68% | 0.682 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -73 | 154.4 | -176.4 | 28.9 | -33.6 | 0 | 0 | 0 | 112.8 | ||
| 35 | P | 61 | Low | 40 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 75% | 0.747 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 150.7 | -178.8 | 30.2 | -34.4 | 0 | 0 | 0 | 112.7 | ||
| 36 | P | 55 | Low | 39.9 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 151 | 174.8 | 30.2 | -33.5 | 0 | 0 | 0 | 112.1 | ||
| 37 | P | 53.5 | Low | 40.3 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 160.5 | -175.9 | 30.2 | -34.6 | 0 | 0 | 0 | 113.6 | ||
| 38 | P | 40.9 | Very low | 40.2 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81 | 124.6 | -174.1 | 31.7 | -32.5 | 0 | 0 | 0 | 111.5 | R40 | P38-R40 PolarHBondContact O-N 3.1Š|
| 39 | D | 34 | Very low | 40.5 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | trans | -86.9 | 112.8 | 169.9 | -148.7 | -13.8 | 0 | 0 | 0 | 109.6 | ||||
| 40 | R | 35.7 | Very low | 40.2 | Very low | 233 Ų | 233 | 137.6 Ų | 137.6 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -126.5 | 99.7 | 179.3 | -142.9 | -169.4 | -168.5 | -149 | 3.8 | 106.8 | P38 | P38-R40 PolarHBondContact O-N 3.1Š| ||
| 41 | S | 32.7 | Very low | 39.9 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -154.1 | 102.4 | 146.4 | -162.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 42 | S | 35.5 | Very low | 39.3 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | -53.4 | 140.6 | 159.8 | -48.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 43 | R | 36.7 | Very low | 39.1 | Very low | 247 Ų | 247 | 134.7 Ų | 134.7 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | trans | -137.5 | 122 | 136.5 | -72.9 | -165.3 | -169.3 | -119.7 | -0.4 | 110 | ||||
| 44 | L | 35.9 | Very low | 38.9 | Very low | 156 Ų | 156 | 133 Ų | 133 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | -66.4 | 150.5 | 171.8 | -66.8 | 148.1 | 0 | 0 | 0 | 110.7 | ||||
| 45 | C | 30.1 | Very low | 37.5 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | -178.9 | 151.3 | 120.9 | -93.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 46 | V | 32.2 | Very low | 36 | Very low | 134 Ų | 134 | 131 Ų | 131 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -96.8 | -163.9 | -157.9 | -144.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 47 | P | 42.8 | Very low | 34.8 | Very low | 111 Ų | 111 | 135 Ų | 135 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | -121.2 | 179.5 | -131.4 | 39.2 | -16.9 | 0 | 0 | 0 | 117.2 | ||||
| 48 | A | 29.1 | Very low | 33.8 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | 73.4 | 166.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 49 | P | 41.8 | Very low | 33.2 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | cis | -142 | -164.4 | 7.8 | 39.5 | -16 | 0 | 0 | 0 | 117.4 | ||||
| 50 | L | 28.7 | Very low | 33.3 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -53.1 | 163 | -175.1 | -73.1 | 143.6 | 0 | 0 | 0 | 121.9 | ||||
| 51 | S | 29.3 | Very low | 32.9 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 72.4 | 134.9 | 148.3 | -74.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 52 | T | 30.3 | Very low | 33 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | -169.4 | 137.6 | 79.5 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 53 | A | 31.8 | Very low | 33.1 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | trans | -91.8 | 164.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 54 | P | 41 | Very low | 32.8 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | -149.3 | 152.3 | 93.6 | 31.6 | -11 | 0 | 0 | 0 | 114.2 | |||||
| 55 | G | 28.6 | Very low | 32.6 | Very low | 80 Ų | 80 | 136.1 Ų | 136.1 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | 95.1 | 135.9 | 98.7 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 56 | A | 30.6 | Very low | 32.6 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | cis | -164 | 133.2 | 35.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 57 | R | 30.4 | Very low | 32.7 | Very low | 205 Ų | 205 | 140.2 Ų | 140.2 | 77% | 0.774 | 81% | 0.809 | S | S | * | * | 65.3 | 126 | 104.8 | -93.2 | -176.7 | 160.1 | -133.7 | 7.2 | 118.8 | |||||
| 58 | E | 31.2 | Very low | 32.1 | Very low | 161 Ų | 161 | 138.6 Ų | 138.6 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | 68.3 | 140.4 | 141.1 | -63.7 | 170.5 | 125.8 | 0 | 0 | 117.2 | ||||
| 59 | G | 29.6 | Very low | 32.5 | Very low | 68 Ų | 68 | 142.1 Ų | 142.1 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | cis | 173.3 | 148.8 | 5.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 60 | R | 34.3 | Very low | 32.3 | Very low | 242 Ų | 242 | 144.2 Ų | 144.2 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | trans | 17 | 127.7 | 155 | -51.2 | 177.8 | -140.4 | -124.5 | -0.3 | 120.2 | ||||
| 61 | S | 29.3 | Very low | 32.9 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | 146.2 | 123.4 | 108 | -77.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 62 | A | 33.7 | Very low | 33.7 | Very low | 92 Ų | 92 | 145.3 Ų | 145.3 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | trans | 35.1 | 131.1 | 139.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 63 | R | 36.7 | Very low | 34.4 | Very low | 254 Ų | 254 | 144.6 Ų | 144.6 | 96% | 0.958 | 82% | 0.818 | S | S | * | * | -165.2 | 148.7 | 126.2 | -101.2 | 160.4 | -155.4 | -101.3 | 5.6 | 112 | |||||
| 64 | R | 31.2 | Very low | 34.6 | Very low | 243 Ų | 243 | 146.7 Ų | 146.7 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | trans | -87.5 | 179 | -173.1 | -59.8 | 176.8 | -167 | -159.6 | 0.9 | 112.4 | ||||
| 65 | A | 31.1 | Very low | 34.4 | Very low | 102 Ų | 102 | 152.3 Ų | 152.3 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | 95 | 142 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 66 | A | 31.9 | Very low | 34.8 | Very low | 98 Ų | 98 | 153.4 Ų | 153.4 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | cis | -163.9 | 171.2 | -3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 67 | R | 33.1 | Very low | 35.2 | Very low | 253 Ų | 253 | 154.7 Ų | 154.7 | 96% | 0.955 | 83% | 0.833 | S | S | * | * | trans | -37.2 | 151.6 | 175.5 | -64.3 | 178.3 | 165.5 | -146.9 | -3 | 117 | ||||
| 68 | G | 30.8 | Very low | 35.7 | Very low | 76 Ų | 76 | 156.5 Ų | 156.5 | 78% | 0.784 | 84% | 0.84 | S | S | * | * | trans | 174.6 | 102.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 69 | N | 37.5 | Very low | 36.1 | Very low | 166 Ų | 166 | 154.9 Ų | 154.9 | 89% | 0.888 | 84% | 0.844 | S | S | * | * | trans | -63.5 | 122.8 | 165.4 | -91.2 | -60.6 | 0 | 0 | 0 | 110.2 | ||||
| 70 | L | 37.7 | Very low | 36.4 | Very low | 168 Ų | 168 | 156.6 Ų | 156.6 | 88% | 0.88 | 85% | 0.851 | S | S | * | * | trans | -146.6 | 111.7 | 158.2 | -75.8 | 175.6 | 0 | 0 | 0 | 109.7 | ||||
| 71 | E | 40.7 | Very low | 36.8 | Very low | 182 Ų | 182 | 156 Ų | 156 | 85% | 0.85 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 134.7 | 164.2 | -105.2 | -90.9 | 109.1 | 0 | 0 | 110.6 | ||
| 72 | P | 46.7 | Very low | 37.4 | Very low | 104 Ų | 104 | 156.6 Ų | 156.6 | 68% | 0.675 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 137.6 | 170 | 11.7 | 4.5 | 0 | 0 | 0 | 113.1 | ||
| 73 | P | 44.3 | Very low | 37.6 | Very low | 120 Ų | 120 | 159.9 Ų | 159.9 | 78% | 0.779 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 170.4 | -176.4 | 32.8 | -35.7 | 0 | 0 | 0 | 113.9 | ||
| 74 | P | 36.6 | Very low | 37.8 | Very low | 128 Ų | 128 | 159.1 Ų | 159.1 | 83% | 0.831 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 157.3 | -161.9 | 31.5 | -34.1 | 0 | 0 | 0 | 114.3 | ||
| 75 | R | 36.7 | Very low | 38.4 | Very low | 247 Ų | 247 | 154 Ų | 154 | 93% | 0.932 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 130.7 | -172.1 | -65.2 | 174.1 | 176.9 | -168.9 | -1.9 | 114.1 | ||
| 76 | A | 36.6 | Very low | 39.2 | Very low | 102 Ų | 102 | 152.5 Ų | 152.5 | 84% | 0.843 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 124.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 77 | S | 38.9 | Very low | 39.7 | Very low | 123 Ų | 123 | 155.7 Ų | 155.7 | 86% | 0.86 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 123.6 | 177.7 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 78 | R | 40.4 | Very low | 40.2 | Very low | 243 Ų | 243 | 153.1 Ų | 153.1 | 92% | 0.917 | 85% | 0.845 | S | S | * | * | trans | -105.1 | 144.7 | 165.1 | -98.8 | -175.8 | 172.8 | -178.4 | -1.5 | 110.5 | ||||
| 79 | P | 39.9 | Very low | 40.6 | Very low | 127 Ų | 127 | 157.3 Ų | 157.3 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 150.8 | -174.2 | 30.3 | -33.2 | 0 | 0 | 0 | 112.4 | ||
| 80 | A | 37.4 | Very low | 40.9 | Very low | 104 Ų | 104 | 161 Ų | 161 | 86% | 0.86 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 136.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 81 | R | 42 | Very low | 41.1 | Very low | 231 Ų | 231 | 160.8 Ų | 160.8 | 87% | 0.872 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -81 | 145.8 | 169.4 | -164.8 | 176.2 | -172 | -172 | 3.4 | 109.7 | ||
| 82 | P | 40.8 | Very low | 41.7 | Very low | 125 Ų | 125 | 163.9 Ų | 163.9 | 81% | 0.812 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 140.3 | -177.7 | -20.3 | 31.9 | 0 | 0 | 0 | 113.4 | ||
| 83 | L | 39.3 | Very low | 41.6 | Very low | 161 Ų | 161 | 168.3 Ų | 168.3 | 84% | 0.843 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 136.2 | -178.5 | -69.6 | 162.3 | 0 | 0 | 0 | 112 | ||
| 84 | R | 41.3 | Very low | 41.6 | Very low | 239 Ų | 239 | 173 Ų | 173 | 90% | 0.902 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 144.9 | 160.5 | -81 | -170.5 | 169.7 | -176 | -2.9 | 110.1 | ||
| 85 | P | 42.9 | Very low | 41.8 | Very low | 135 Ų | 135 | 173.5 Ų | 173.5 | 88% | 0.877 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -80.2 | 135.1 | 179.3 | -0.8 | 19 | 0 | 0 | 0 | 110.9 | ||
| 86 | G | 48.9 | Very low | 42.5 | Very low | 70 Ų | 70 | 165.6 Ų | 165.6 | 72% | 0.722 | 85% | 0.853 | S | S | * | * | trans | 132 | 56.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 87 | L | 40.8 | Very low | 43 | Very low | 165 Ų | 165 | 163.7 Ų | 163.7 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | trans | -164.9 | 107.7 | 156.7 | -111.4 | 132.7 | 0 | 0 | 0 | 107.7 | Q89 | L87-Q89 PolarHBondContact O-N 2.8Š| ||
| 88 | Q | 43.9 | Very low | 43.5 | Very low | 199 Ų | 199 | 163.9 Ų | 163.9 | 93% | 0.93 | 84% | 0.835 | S | S | * | * | trans | -62.9 | 107.1 | 173.5 | -71.2 | -168.4 | -7.2 | 0 | 0 | 108.6 | R90 | Q88-R90 PolarHBondContact O-N 2.84Š| ||
| 89 | Q | 38.4 | Very low | 44 | Very low | 165 Ų | 165 | 163 Ų | 163 | 77% | 0.771 | 83% | 0.832 | S | S | * | * | trans | -61 | 122.2 | 174.4 | -70.2 | -175.9 | 19.6 | 0 | 0 | 108.9 | L87 L91 | L87-Q89 PolarHBondContact O-N 2.8Å; Q89-L91 PolarHBondContact O-N 3.27Å | ||
| 90 | R | 44.7 | Very low | 44.3 | Very low | 244 Ų | 244 | 160.5 Ų | 160.5 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -51.8 | 105.8 | 160.8 | -113 | 179.1 | -179.5 | -130 | 2.3 | 107.5 | Q88 R92 | Q88-R90 PolarHBondContact O-N 2.84Å; R90-R92 PolarHBondContact O-N 2.73Å | ||
| 91 | L | 42.9 | Very low | 44.9 | Very low | 163 Ų | 163 | 166.4 Ų | 166.4 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -57.8 | 101.1 | 172.1 | -71.3 | 166.6 | 0 | 0 | 0 | 108.2 | Q89 R93 | Q89-L91 PolarHBondContact O-N 3.27Å; L91-R93 PolarHBondContact O-N 2.83Å; L91-R93 VanDerWaalsContact O-N 3.14Å | ||
| 92 | R | 52.1 | Low | 45.3 | Very low | 246 Ų | 246 | 162 Ų | 162 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | trans | -63.8 | 112.1 | 164.7 | -80.9 | -165.3 | 176.8 | -171.6 | 0.8 | 106.7 | R90 R94 | R90-R92 PolarHBondContact O-N 2.73Å; R92-R94 PolarHBondContact O-N 2.84Å | ||
| 93 | R | 44.7 | Very low | 45.6 | Very low | 198 Ų | 198 | 162.5 Ų | 162.5 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 132 | 174.3 | -70.1 | -171.6 | 177.2 | -170.9 | 0.2 | 109.2 | L91 | L91-R93 PolarHBondContact O-N 2.83Å; L91-R93 VanDerWaalsContact O-N 3.14Å |
| 94 | R | 43.5 | Very low | 45.8 | Very low | 218 Ų | 218 | 164.3 Ų | 164.3 | 82% | 0.823 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 139.1 | 170.9 | -83.1 | -177.8 | 173.6 | 176.3 | -2.3 | 110 | R92 G96 | R92-R94 PolarHBondContact O-N 2.84Å; R94-G96 PolarHBondContact O-N 3.29Å |
| 95 | P | 42.3 | Very low | 45.8 | Very low | 138 Ų | 138 | 156 Ų | 156 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | 125.7 | 163.6 | -16.6 | 29.7 | 0 | 0 | 0 | 108.8 | ||
| 96 | G | 51.8 | Low | 46.1 | Very low | 82 Ų | 82 | 156.7 Ų | 156.7 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.1 | 3.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | R94 | R94-G96 PolarHBondContact O-N 3.29Š|
| 97 | A | 45.7 | Very low | 45.9 | Very low | 62 Ų | 62 | 159.4 Ų | 159.4 | 51% | 0.512 | 77% | 0.771 | S | S | . | * | P | Polyproline II helix | trans | -73.5 | 133.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | R99 | A97-R99 PolarHBondContact O-N 3Š|
| 98 | P | 50.4 | Low | 46.1 | Very low | 126 Ų | 126 | 159.3 Ų | 159.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 127.8 | 173.4 | -19.9 | 30.1 | 0 | 0 | 0 | 109.7 | ||
| 99 | R | 50.1 | Low | 46.1 | Very low | 225 Ų | 225 | 158.1 Ų | 158.1 | 85% | 0.849 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 138.5 | 174.3 | -72.5 | -177.4 | 176.2 | 161.4 | -0.5 | 108.8 | A97 R101 | A97-R99 PolarHBondContact O-N 3Å; R99-R101 PolarHBondContact O-N 3.2Å |
| 100 | P | 45.8 | Very low | 46.4 | Very low | 75 Ų | 75 | 155.4 Ų | 155.4 | 49% | 0.487 | 76% | 0.757 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 132.3 | 166.2 | -21.5 | 31.7 | 0 | 0 | 0 | 109.1 | D102 | P100-D102 PolarHBondContact O-N 3.27Š|
| 101 | R | 51.8 | Low | 46.6 | Very low | 227 Ų | 227 | 151.8 Ų | 151.8 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 1.3 | -174.6 | -73.9 | -173.2 | 174.4 | -136.4 | 0.4 | 114.6 | R99 | R99-R101 PolarHBondContact O-N 3.2Š|
| 102 | D | 50.3 | Low | 46.8 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 22.5 | -170.6 | -59.9 | -40 | 0 | 0 | 0 | 115 | P100 | P100-D102 PolarHBondContact O-N 3.27Š|
| 103 | V | 46.7 | Very low | 47 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -104.9 | 68.8 | 156.3 | -168.3 | 0 | 0 | 0 | 0 | 107.6 | S105 | V103-S105 PolarHBondContact O-N 3.05Š| ||
| 104 | R | 43.4 | Very low | 47.3 | Very low | 199 Ų | 199 | 141.9 Ų | 141.9 | 75% | 0.751 | 72% | 0.724 | S | S | * | * | trans | -63.2 | 124.6 | 166.7 | -75.5 | -176.2 | 169.2 | 133.1 | -3.5 | 107.5 | I106 | R104-I106 PolarHBondContact O-N 3.16Š| ||
| 105 | S | 41.8 | Very low | 47.6 | Very low | 65 Ų | 65 | 135.9 Ų | 135.9 | 46% | 0.455 | 71% | 0.711 | S | S | . | * | trans | -52.4 | 121.1 | 167.3 | 178.9 | 0 | 0 | 0 | 0 | 108.1 | V103 F107 E108 | V103-S105 PolarHBondContact O-N 3.05Å; S105-F107 PolarHBondContact O-N 2.88Å; S105-F107 PolarHBondContact OG-N 3.35Å; S105-E108 PolarHBondContact O-N 2.95Å | ||
| 106 | I | 47.5 | Very low | 48.4 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -7.4 | 176.9 | -42.7 | 168.6 | 0 | 0 | 0 | 110.6 | R104 | R104-I106 PolarHBondContact O-N 3.16Š|
| 107 | F | 45.2 | Very low | 48.8 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 56% | 0.557 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -9 | -177.3 | -62.5 | -78.6 | 0 | 0 | 0 | 114.9 | S105 I256 | S105-F107 PolarHBondContact O-N 2.88Å; S105-F107 PolarHBondContact OG-N 3.35Å; F107-I256 WeakPolarHBondContact CZ-O 3.45Å |
| 108 | E | 45.4 | Very low | 50 | Low | 162 Ų | 162 | 134.3 Ų | 134.3 | 76% | 0.757 | 68% | 0.679 | S | S | * | * | trans | -119.2 | 81 | 168.1 | -78.9 | 179.7 | 148.9 | 0 | 0 | 107.6 | S105 P110 | S105-E108 PolarHBondContact O-N 2.95Å; E108-P110 WeakPolarHBondContact O-CD 3.44Å | ||
| 109 | Q | 43.4 | Very low | 50.9 | Low | 175 Ų | 175 | 136.5 Ų | 136.5 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 124.3 | 157.5 | -76.8 | -166.3 | -47 | 0 | 0 | 106.9 | Q111 | Q109-Q111 PolarHBondContact O-N 3.33Å; Q109-Q111 VanDerWaalsContact O-N 3.13Å |
| 110 | P | 46.1 | Very low | 51.7 | Low | 108 Ų | 108 | 126.7 Ų | 126.7 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 124.6 | 158.5 | -15.7 | 28.7 | 0 | 0 | 0 | 106.1 | E108 D112 | E108-P110 WeakPolarHBondContact O-CD 3.44Å; P110-D112 PolarHBondContact O-N 3.21Å |
| 111 | Q | 48 | Very low | 53.1 | Low | 167 Ų | 167 | 126.9 Ų | 126.9 | 78% | 0.78 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 119.1 | 174.3 | -70.6 | 176.3 | -16 | 0 | 0 | 107.4 | Q109 P113 | Q109-Q111 PolarHBondContact O-N 3.33Å; Q109-Q111 VanDerWaalsContact O-N 3.13Å; Q111-P113 WeakPolarHBondContact O-CD 3.37Å |
| 112 | D | 47.8 | Very low | 54.4 | Low | 60 Ų | 60 | 118 Ų | 118 | 32% | 0.321 | 61% | 0.614 | S | S | . | * | trans | -60.1 | 113.9 | 178.3 | -175 | -25.1 | 0 | 0 | 0 | 106.4 | P110 R114 V115 | P110-D112 PolarHBondContact O-N 3.21Å; D112-R114 PolarHBondContact O-N 2.96Å; D112-R114 VanDerWaalsContact OD1-CB 3.29Å; D112-R114 WeakPolarHBondContact OD1-CB 3.3Å; D112-R114 WeakPolarHBondContact OD1-CG 3.31Å; D112-R114 IonicContact OD1-CZ 3.98Å; D112-R114 PolarHBondContact OD1-N 2.77Å; D112-R114 IonicContact OD1-NE 3.46Å; D112-R114 PolarHBondContact OD1-NE 3.29Å; D112-R114 IonicContact OD1-NH2 3.29Å; D112-R114 IonicContact OD2-CZ 3.83Å; D112-R114 IonicContact OD2-NE 2.7Å; D112-R114 PolarHBondContact OD2-NE 2.91Å; D112-R114 IonicContact OD2-NH2 3.22Å; D112-R114 PolarHBondContact OD2-NH2 2.75Å; D112-V115 HydrophobicContact CB-CB 4.47Å; D112-V115 HydrophobicContact CB-CG2 4.03Å; D112-V115 PolarHBondContact O-N 2.94Å | ||
| 113 | P | 55.2 | Low | 56 | Low | 131 Ų | 131 | 112.9 Ų | 112.9 | 85% | 0.851 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -11.2 | -174.2 | -22.1 | 33.6 | 0 | 0 | 0 | 113.4 | Q111 | Q111-P113 WeakPolarHBondContact O-CD 3.37Š|
| 114 | R | 50.6 | Low | 57.8 | Low | 209 Ų | 209 | 109.7 Ų | 109.7 | 79% | 0.789 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -15.7 | 177.2 | -55.1 | 173.3 | -65.4 | 172.4 | 4.6 | 112.9 | D112 | D112-R114 PolarHBondContact O-N 2.96Å; D112-R114 VanDerWaalsContact OD1-CB 3.29Å; D112-R114 WeakPolarHBondContact OD1-CB 3.3Å; D112-R114 WeakPolarHBondContact OD1-CG 3.31Å; D112-R114 IonicContact OD1-CZ 3.98Å; D112-R114 PolarHBondContact OD1-N 2.77Å; D112-R114 IonicContact OD1-NE 3.46Å; D112-R114 PolarHBondContact OD1-NE 3.29Å; D112-R114 IonicContact OD1-NH2 3.29Å; D112-R114 IonicContact OD2-CZ 3.83Å; D112-R114 IonicContact OD2-NE 2.7Å; D112-R114 PolarHBondContact OD2-NE 2.91Å; D112-R114 IonicContact OD2-NH2 3.22Å; D112-R114 PolarHBondContact OD2-NH2 2.75Å |
| 115 | V | 50.1 | Low | 59.9 | Low | 92 Ų | 92 | 102 Ų | 102 | 56% | 0.558 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -97.3 | 113.9 | 175 | -177.9 | 0 | 0 | 0 | 0 | 107.3 | D112 A117 | D112-V115 HydrophobicContact CB-CB 4.47Å; D112-V115 HydrophobicContact CB-CG2 4.03Å; D112-V115 PolarHBondContact O-N 2.94Å; V115-A117 PolarHBondContact O-N 3.46Å |
| 116 | P | 60.3 | Low | 62 | Low | 106 Ų | 106 | 101.1 Ų | 101.1 | 69% | 0.688 | 54% | 0.537 | S | S | * | . | trans | -55 | 136.7 | 174.4 | -23.2 | 33.9 | 0 | 0 | 0 | 110.1 | E118 | P116-E118 PolarHBondContact O-N 3.08Å; P116-E118 VanDerWaalsContact O-N 3.09Å | ||
| 117 | A | 59.2 | Low | 63.8 | Low | 65 Ų | 65 | 100.8 Ų | 100.8 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | trans | -65.1 | 112.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | V115 | V115-A117 PolarHBondContact O-N 3.46Š| ||
| 118 | E | 70.7 | Confident | 65.4 | Low | 77 Ų | 77 | 97.2 Ų | 97.2 | 36% | 0.36 | 52% | 0.519 | S | S | . | . | trans | -68.8 | 132.3 | 173.2 | -59.6 | -173.8 | -174.4 | 0 | 0 | 108.7 | P116 Q167 L168 D169 | P116-E118 PolarHBondContact O-N 3.08Å; P116-E118 VanDerWaalsContact O-N 3.09Å; E118-Q167 CarbonylContact C-O 3.49Å; E118-Q167 WeakPolarHBondContact CB-O 3.41Å; E118-L168 WeakPolarHBondContact OE2-CA 2.99Å; E118-L168 WeakPolarHBondContact OE2-CD2 3.29Å; E118-D169 WeakPolarHBondContact CA-OD2 3.41Å; E118-D169 HydrophobicContact CB-CB 4.42Å; E118-D169 HydrophobicContact CG-CB 4.43Å; E118-D169 PolarHBondContact OE2-N 3.35Å | ||
| 119 | R | 70.1 | Confident | 66.7 | Low | 172 Ų | 172 | 94.4 Ų | 94.4 | 65% | 0.649 | 51% | 0.513 | S | S | * | . | trans | -115 | 0.7 | -176 | -68.5 | -162.7 | -63.7 | -102.9 | -3.6 | 112.8 | E121 D169 | R119-E121 HydrophobicContact CB-CG 4.07Å; R119-E121 IonicContact CZ-OE1 3.36Å; R119-E121 IonicContact NE-OE1 2.92Å; R119-E121 PolarHBondContact NE-OE1 2.72Å; R119-E121 IonicContact NH2-OE1 3.76Å; R119-E121 PolarHBondContact NH2-OE1 2.96Å; R119-E121 IonicContact NH2-OE2 3.92Å; R119-E121 PolarHBondContact NH2-OE2 3.24Å; R119-D169 PolarHBondContact N-OD1 3.21Å | ||
| 120 | G | 67.6 | Low | 67.8 | Low | 20 Ų | 20 | 88.4 Ų | 88.4 | 21% | 0.206 | 49% | 0.486 | C | S | . | . | S | Bend | trans | 85 | 20.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I166 Q167 L168 D169 | G120-I166 WeakPolarHBondContact CA-O 3.49Å; G120-Q167 PolarHBondContact N-O 2.85Å; G120-L168 WeakPolarHBondContact CA-O 3.45Å; G120-D169 WeakPolarHBondContact CA-OD1 3.17Å; G120-D169 PolarHBondContact N-OD1 2.78Å |
| 121 | E | 74 | Confident | 68.3 | Low | 79 Ų | 79 | 89.6 Ų | 89.6 | 37% | 0.369 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 156.7 | -173.3 | -69.7 | 179.9 | -173 | 0 | 0 | 112.7 | R119 H123 D169 C170 | R119-E121 HydrophobicContact CB-CG 4.07Å; R119-E121 IonicContact CZ-OE1 3.36Å; R119-E121 IonicContact NE-OE1 2.92Å; R119-E121 PolarHBondContact NE-OE1 2.72Å; R119-E121 IonicContact NH2-OE1 3.76Å; R119-E121 PolarHBondContact NH2-OE1 2.96Å; R119-E121 IonicContact NH2-OE2 3.92Å; R119-E121 PolarHBondContact NH2-OE2 3.24Å; E121-H123 PolarHBondContact O-N 3.38Å; E121-D169 PolarHBondContact N-OD1 2.8Å; E121-C170 WeakPolarHBondContact O-CB 3.24Å; E121-C170 PolarHBondContact O-N 2.67Å |
| 122 | G | 80.1 | Confident | 68.7 | Low | 41 Ų | 41 | 85.6 Ų | 85.6 | 42% | 0.423 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -3.3 | 172 | 0 | 0 | 0 | 0 | 0 | 116.8 | N153 C170 | G122-N153 PolarHBondContact O-ND2 2.9Å; G122-C170 VanDerWaalsContact O-CB 3.28Å; G122-C170 WeakPolarHBondContact O-CB 3.45Å |
| 123 | H | 82.4 | Confident | 69.4 | Low | 31 Ų | 31 | 84.7 Ų | 84.7 | 14% | 0.144 | 50% | 0.502 | C | S | . | . | trans | -77.5 | 126.9 | 176.6 | -69.3 | -84.4 | 0 | 0 | 0 | 112.3 | E121 F125 C151 C154 L168 | E121-H123 PolarHBondContact O-N 3.38Å; H123-F125 HydrophobicContact CB-CD2 3.85Å; H123-F125 HydrophobicContact CB-CE2 3.3Å; H123-F125 HydrophobicContact CB-CZ 3.68Å; H123-F125 AromaticContact CG-CE2 3.86Å; H123-F125 AromaticContact CG-CZ 3.79Å; H123-F125 AromaticContact ND1-CZ 3.9Å; H123-C151 HydrophobicContact CB-CB 4.43Å; H123-C151 PolarHBondContact ND1-SG 3.48Å; H123-C151 VanDerWaalsContact ND1-SG 3.4Å; H123-C154 PolarHBondContact CE1-SG 2.83Å; H123-C154 PolarHBondContact ND1-SG 3.16Å; H123-L168 PolarHBondContact CD2-O 2.87Å; H123-L168 PolarHBondContact NE2-O 3.17Å | ||
| 124 | C | 86.1 | Confident | 69.8 | Low | 67 Ų | 67 | 81.8 Ų | 81.8 | 45% | 0.453 | 48% | 0.483 | S | S | . | . | trans | -105.9 | 88.4 | 172 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | C151 T152 | C124-C151 PolarHBondContact N-SG 2.95Å; C124-C151 VanDerWaalsContact N-SG 3.42Å; C124-C151 CarbonylContact O-C 3.58Å; C124-C151 VanDerWaalsContact O-CA 3.26Å; C124-C151 WeakPolarHBondContact O-CA 3.24Å; C124-T152 WeakPolarHBondContact CB-OG1 3.4Å; C124-T152 PolarHBondContact O-N 3.46Å; C124-T152 PolarHBondContact O-OG1 2.93Å | ||
| 125 | F | 87.5 | Confident | 70.9 | Confident | 38 Ų | 38 | 72.3 Ų | 72.3 | 17% | 0.167 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 122.6 | -178.3 | -72.4 | -69.4 | 0 | 0 | 0 | 111.6 | H123 L149 C151 F156 R163 I166 | H123-F125 HydrophobicContact CB-CD2 3.85Å; H123-F125 HydrophobicContact CB-CE2 3.3Å; H123-F125 HydrophobicContact CB-CZ 3.68Å; H123-F125 AromaticContact CG-CE2 3.86Å; H123-F125 AromaticContact CG-CZ 3.79Å; H123-F125 AromaticContact ND1-CZ 3.9Å; F125-L149 HydrophobicContact CB-CB 4.12Å; F125-L149 HydrophobicContact CB-CD1 4.38Å; F125-L149 HydrophobicContact CD1-CB 3.8Å; F125-L149 HydrophobicContact CG-CB 4.18Å; F125-C151 HydrophobicContact CD1-CB 4Å; F125-C151 HydrophobicContact CE1-CB 3.78Å; F125-C151 HydrophobicContact CZ-CB 4.35Å; F125-F156 HydrophobicContact CE1-CD1 4.08Å; F125-F156 HydrophobicContact CZ-CD1 4.11Å; F125-R163 HydrophobicContact CD2-CG 4.17Å; F125-R163 HydrophobicContact CE2-CG 4.31Å; F125-I166 HydrophobicContact CE1-CD1 4.29Å; F125-I166 HydrophobicContact CE2-CD1 3.88Å; F125-I166 HydrophobicContact CZ-CD1 3.42Å; F125-I166 VanDerWaalsContact CZ-CD1 3.42Å |
| 126 | A | 85.4 | Confident | 72.3 | Confident | 46 Ų | 46 | 72.4 Ų | 72.4 | 38% | 0.38 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 147.6 | 167 | 0 | 0 | 0 | 0 | 0 | 109.8 | L128 R150 T152 | A126-L128 PolarHBondContact O-N 3.02Å; A126-R150 PolarHBondContact N-O 3.34Å; A126-R150 PolarHBondContact O-N 3.15Å; A126-T152 HydrophobicContact CB-CG2 4.01Å |
| 127 | E | 84.6 | Confident | 73.4 | Confident | 144 Ų | 144 | 67.4 Ų | 67.4 | 67% | 0.673 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 125.9 | 172.1 | -72.4 | -176.6 | -175.5 | 0 | 0 | 110.1 | L149 | E127-L149 HydrophobicContact CG-CD2 3.96Å |
| 128 | L | 79.2 | Confident | 74.4 | Confident | 51 Ų | 51 | 65.5 Ų | 65.5 | 27% | 0.267 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 100.8 | 172.1 | -175.5 | 73.3 | 0 | 0 | 0 | 107.5 | A126 L130 A148 R150 | A126-L128 PolarHBondContact O-N 3.02Å; L128-L130 HydrophobicContact CD2-CD2 3.71Å; L128-L130 HydrophobicContact CD2-CG 4.43Å; L128-L130 HydrophobicContact CG-CD2 4.13Å; L128-L130 HydrophobicContact CG-CG 4.48Å; L128-A148 WeakPolarHBondContact CA-O 3.49Å; L128-A148 HydrophobicContact CB-CB 4.44Å; L128-A148 WeakPolarHBondContact CB-O 3.34Å; L128-A148 PolarHBondContact N-O 3.37Å; L128-A148 PolarHBondContact O-N 3.07Å; L128-R150 HydrophobicContact CB-CB 4.11Å; L128-R150 HydrophobicContact CD2-CB 4.26Å |
| 129 | V | 72.1 | Confident | 74.8 | Confident | 104 Ų | 104 | 63.9 Ų | 63.9 | 63% | 0.63 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 131 | 161.8 | -176.3 | 0 | 0 | 0 | 0 | 106.6 | P131 | V129-P131 WeakPolarHBondContact O-CD 3.12Å |
| 130 | L | 67.6 | Low | 75.1 | Confident | 49 Ų | 49 | 56.2 Ų | 56.2 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | trans | -100.4 | 91 | -179.4 | -67.9 | 160.8 | 0 | 0 | 0 | 108.8 | L128 G132 G133 V144 A148 | L128-L130 HydrophobicContact CD2-CD2 3.71Å; L128-L130 HydrophobicContact CD2-CG 4.43Å; L128-L130 HydrophobicContact CG-CD2 4.13Å; L128-L130 HydrophobicContact CG-CG 4.48Å; L130-G132 PolarHBondContact O-N 2.7Å; L130-G133 WeakPolarHBondContact CB-O 3.36Å; L130-V144 WeakPolarHBondContact CD1-O 3.34Å; L130-A148 HydrophobicContact CD1-CB 4.29Å | ||
| 131 | P | 55.9 | Low | 75.3 | Confident | 133 Ų | 133 | 56.7 Ų | 56.7 | 86% | 0.864 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 8.4 | -170 | 29 | -37.4 | 0 | 0 | 0 | 115.2 | V129 | V129-P131 WeakPolarHBondContact O-CD 3.12Š|
| 132 | G | 56.8 | Low | 75.5 | Confident | 82 Ų | 82 | 60.6 Ų | 60.6 | 85% | 0.845 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -159.5 | 17.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | L130 | L130-G132 PolarHBondContact O-N 2.7Š|
| 133 | G | 61.3 | Low | 75.4 | Confident | 42 Ų | 42 | 62.7 Ų | 62.7 | 43% | 0.433 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 155.6 | 173.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L130 | L130-G133 WeakPolarHBondContact CB-O 3.36Š|
| 134 | P | 63.7 | Low | 75.4 | Confident | 70 Ų | 70 | 61.4 Ų | 61.4 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | trans | -70.7 | 140.6 | -178.6 | 26.6 | -32.5 | 0 | 0 | 0 | 113.1 | E143 L145 | P134-E143 HydrophobicContact CB-CG 3.45Å; P134-E143 VanDerWaalsContact CB-CG 3.45Å; P134-E143 WeakPolarHBondContact CB-OE1 3.45Å; P134-E143 HydrophobicContact CG-CG 4.45Å; P134-E143 WeakPolarHBondContact CG-OE1 3.26Å; P134-L145 HydrophobicContact CB-CD2 4.45Å | ||
| 135 | G | 73.5 | Confident | 74.3 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 9% | 0.093 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 176 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E143 V144 | G135-E143 CarbonylContact O-C 3.59Å; G135-E143 WeakPolarHBondContact O-CA 3.28Å; G135-V144 PolarHBondContact N-O 3.48Å; G135-V144 PolarHBondContact O-N 3.22Å |
| 136 | W | 80.3 | Confident | 73.3 | Confident | 95 Ų | 95 | 72.7 Ų | 72.7 | 36% | 0.36 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 138 | 178.7 | -60.6 | 92 | 0 | 0 | 0 | 111.1 | E143 V144 N314 | W136-E143 HydrophobicContact CZ3-CB 4.29Å; W136-V144 VanDerWaalsContact C-CG2 3.48Å; W136-N314 VanDerWaalsContact CD2-ND2 3.26Å; W136-N314 PolarHBondContact NE1-ND2 3.44Å |
| 137 | C | 83.8 | Confident | 72.8 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 41% | 0.414 | C | S | . | . | trans | -85 | 125.4 | 175.2 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | L139 C140 G141 R142 V144 T157 H159 C162 | C137-L139 VanDerWaalsContact C-N 3.27Å; C137-L139 PolarHBondContact O-N 3.08Å; C137-L139 PolarHBondContact SG-N 2.89Å; C137-C140 VanDerWaalsContact SG-SG 3.66Å; C137-G141 WeakPolarHBondContact O-CA 3.21Å; C137-G141 PolarHBondContact O-N 3.47Å; C137-R142 PolarHBondContact N-O 3.23Å; C137-V144 HydrophobicContact CB-CG2 4.01Å; C137-T157 CarbonylContact C-O 3.53Å; C137-H159 WeakPolarHBondContact CB-CE1 3.13Å; C137-H159 WeakPolarHBondContact CB-ND1 3.31Å; C137-H159 PolarHBondContact SG-N 3.4Å; C137-H159 PolarHBondContact SG-ND1 2.94Å; C137-C162 VanDerWaalsContact SG-SG 3.65Å | ||
| 138 | D | 80.5 | Confident | 72.9 | Confident | 25 Ų | 25 | 69.5 Ų | 69.5 | 13% | 0.134 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -26.5 | 177.7 | -72.5 | -38.8 | 0 | 0 | 0 | 112.9 | F156 T157 K317 | D138-F156 HydrophobicContact CB-CD1 4.31Å; D138-F156 HydrophobicContact CB-CD2 3.82Å; D138-F156 HydrophobicContact CB-CE1 4.02Å; D138-F156 HydrophobicContact CB-CE2 3.49Å; D138-F156 VanDerWaalsContact CB-CE2 3.49Å; D138-F156 HydrophobicContact CB-CG 4.22Å; D138-F156 HydrophobicContact CB-CZ 3.61Å; D138-F156 WeakPolarHBondContact OD2-CA 3.35Å; D138-T157 VanDerWaalsContact CB-O 3.3Å; D138-T157 WeakPolarHBondContact CB-O 3.35Å; D138-T157 PolarHBondContact N-O 2.9Å; D138-T157 PolarHBondContact OD2-N 2.89Å; D138-K317 WeakPolarHBondContact OD1-CE 3.48Å; D138-K317 IonicContact OD1-NZ 2.74Å; D138-K317 PolarHBondContact OD1-NZ 3.49Å |
| 139 | L | 78.4 | Confident | 73.3 | Confident | 43 Ų | 43 | 67.8 Ų | 67.8 | 23% | 0.225 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -52.7 | 178.9 | -174.2 | 69.1 | 0 | 0 | 0 | 112.8 | C137 F156 C162 L165 I166 | C137-L139 VanDerWaalsContact C-N 3.27Å; C137-L139 PolarHBondContact O-N 3.08Å; C137-L139 PolarHBondContact SG-N 2.89Å; L139-F156 HydrophobicContact CB-CZ 4.32Å; L139-C162 HydrophobicContact CB-CB 4.24Å; L139-C162 HydrophobicContact CD2-CB 3.7Å; L139-C162 WeakPolarHBondContact CD2-O 3.06Å; L139-L165 HydrophobicContact CD2-CB 3.55Å; L139-L165 HydrophobicContact CD2-CD1 4.49Å; L139-I166 HydrophobicContact CD2-CG1 4.39Å |
| 140 | C | 77.4 | Confident | 74.1 | Confident | 11 Ų | 11 | 67.5 Ų | 67.5 | 7% | 0.074 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -11.4 | -172.7 | 73.8 | 0 | 0 | 0 | 0 | 114.1 | C137 R142 H159 R277 | C137-C140 VanDerWaalsContact SG-SG 3.66Å; C140-R142 PolarHBondContact O-N 2.77Å; C140-H159 PolarHBondContact SG-CE1 3.41Å; C140-H159 PolarHBondContact SG-ND1 3.2Å; C140-R277 PolarHBondContact O-NE 2.98Å; C140-R277 PolarHBondContact O-NH2 2.88Å |
| 141 | G | 71.2 | Confident | 74.9 | Confident | 30 Ų | 30 | 65.1 Ų | 65.1 | 31% | 0.309 | 35% | 0.349 | S | S | . | . | trans | 73.4 | 3.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | C137 | C137-G141 WeakPolarHBondContact O-CA 3.21Å; C137-G141 PolarHBondContact O-N 3.47Å | ||
| 142 | R | 76.9 | Confident | 76.3 | Confident | 162 Ų | 162 | 62.6 Ų | 62.6 | 61% | 0.611 | 33% | 0.331 | S | S | * | . | trans | -88.3 | 159.9 | 179.9 | -62.2 | -178.5 | -76.7 | -159.6 | -1.9 | 112.1 | C137 C140 | C137-R142 PolarHBondContact N-O 3.23Å; C140-R142 PolarHBondContact O-N 2.77Å | ||
| 143 | E | 78.4 | Confident | 77.3 | Confident | 85 Ų | 85 | 61.6 Ų | 61.6 | 40% | 0.397 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 144.8 | 178.9 | -158.9 | 175 | -162.7 | 0 | 0 | 112 | P134 G135 W136 L145 H159 | P134-E143 HydrophobicContact CB-CG 3.45Å; P134-E143 VanDerWaalsContact CB-CG 3.45Å; P134-E143 WeakPolarHBondContact CB-OE1 3.45Å; P134-E143 HydrophobicContact CG-CG 4.45Å; P134-E143 WeakPolarHBondContact CG-OE1 3.26Å; G135-E143 CarbonylContact O-C 3.59Å; G135-E143 WeakPolarHBondContact O-CA 3.28Å; W136-E143 HydrophobicContact CZ3-CB 4.29Å; E143-L145 VanDerWaalsContact CD-CD2 3.49Å; E143-L145 HydrophobicContact CG-CD2 3.88Å; E143-L145 HydrophobicContact CG-CG 4.34Å; E143-H159 PolarHBondContact O-NE2 3.34Å |
| 144 | V | 82.6 | Confident | 78.1 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.024 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 105.2 | 177.7 | -152.3 | 0 | 0 | 0 | 0 | 107.1 | L130 G135 W136 C137 Q147 A148 | L130-V144 WeakPolarHBondContact CD1-O 3.34Å; G135-V144 PolarHBondContact N-O 3.48Å; G135-V144 PolarHBondContact O-N 3.22Å; W136-V144 VanDerWaalsContact C-CG2 3.48Å; C137-V144 HydrophobicContact CB-CG2 4.01Å; V144-Q147 VanDerWaalsContact CG1-O 3.27Å; V144-Q147 WeakPolarHBondContact CG1-O 3.45Å; V144-A148 HydrophobicContact CB-CB 4.13Å; V144-A148 HydrophobicContact CG1-CB 3.68Å; V144-A148 HydrophobicContact CG2-CB 4.44Å |
| 145 | L | 64.3 | Low | 78.9 | Confident | 130 Ų | 130 | 62.4 Ų | 62.4 | 68% | 0.681 | 29% | 0.292 | S | S | * | . | trans | -87.4 | -17.7 | -162.7 | -69.7 | 168.5 | 0 | 0 | 0 | 114.3 | P134 E143 | P134-L145 HydrophobicContact CB-CD2 4.45Å; E143-L145 VanDerWaalsContact CD-CD2 3.49Å; E143-L145 HydrophobicContact CG-CD2 3.88Å; E143-L145 HydrophobicContact CG-CG 4.34Å | ||
| 146 | R | 64.6 | Low | 79.2 | Confident | 211 Ų | 211 | 63.1 Ų | 63.1 | 80% | 0.796 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -149 | -45.3 | -175.9 | -72.1 | -170.3 | 167.4 | 169.9 | -4.9 | 115.7 | ||
| 147 | Q | 76.1 | Confident | 79.5 | Confident | 122 Ų | 122 | 59.5 Ų | 59.5 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 106.7 | -176 | -70.4 | 175.6 | -11.1 | 0 | 0 | 109 | V144 P160 | V144-Q147 VanDerWaalsContact CG1-O 3.27Å; V144-Q147 WeakPolarHBondContact CG1-O 3.45Å; Q147-P160 WeakPolarHBondContact O-CD 3.43Å |
| 148 | A | 86.3 | Confident | 79.7 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 146.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | L128 L130 V144 T157 | L128-A148 WeakPolarHBondContact CA-O 3.49Å; L128-A148 HydrophobicContact CB-CB 4.44Å; L128-A148 WeakPolarHBondContact CB-O 3.34Å; L128-A148 PolarHBondContact N-O 3.37Å; L128-A148 PolarHBondContact O-N 3.07Å; L130-A148 HydrophobicContact CD1-CB 4.29Å; V144-A148 HydrophobicContact CB-CB 4.13Å; V144-A148 HydrophobicContact CG1-CB 3.68Å; V144-A148 HydrophobicContact CG2-CB 4.44Å; A148-T157 HydrophobicContact CB-CG2 3.8Å |
| 149 | L | 88 | Confident | 80 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.1 | 166.3 | -66.1 | -179.2 | 0 | 0 | 0 | 108 | F125 E127 T157 C158 R163 | F125-L149 HydrophobicContact CB-CB 4.12Å; F125-L149 HydrophobicContact CB-CD1 4.38Å; F125-L149 HydrophobicContact CD1-CB 3.8Å; F125-L149 HydrophobicContact CG-CB 4.18Å; E127-L149 HydrophobicContact CG-CD2 3.96Å; L149-T157 CarbonylContact O-C 3.54Å; L149-T157 WeakPolarHBondContact O-CA 3.26Å; L149-C158 PolarHBondContact N-O 2.92Å; L149-C158 PolarHBondContact O-N 2.98Å; L149-R163 HydrophobicContact CD1-CB 4.02Å; L149-R163 HydrophobicContact CD1-CG 4.23Å |
| 150 | R | 87.6 | Confident | 80.4 | Confident | 97 Ų | 97 | 60 Ų | 60 | 37% | 0.366 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124.6 | 173.4 | -170.8 | 176.7 | -169.2 | 172.2 | 9.8 | 110.2 | A126 L128 T152 F156 | A126-R150 PolarHBondContact N-O 3.34Å; A126-R150 PolarHBondContact O-N 3.15Å; L128-R150 HydrophobicContact CB-CB 4.11Å; L128-R150 HydrophobicContact CD2-CB 4.26Å; R150-T152 PolarHBondContact O-N 3.26Å; R150-F156 CarbonylContact C-O 3.56Å; R150-F156 WeakPolarHBondContact CA-O 3.42Å |
| 151 | C | 86.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 123.3 | 173 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | H123 C124 F125 N153 C154 K155 F156 | H123-C151 HydrophobicContact CB-CB 4.43Å; H123-C151 PolarHBondContact ND1-SG 3.48Å; H123-C151 VanDerWaalsContact ND1-SG 3.4Å; C124-C151 PolarHBondContact N-SG 2.95Å; C124-C151 VanDerWaalsContact N-SG 3.42Å; C124-C151 CarbonylContact O-C 3.58Å; C124-C151 VanDerWaalsContact O-CA 3.26Å; C124-C151 WeakPolarHBondContact O-CA 3.24Å; F125-C151 HydrophobicContact CD1-CB 4Å; F125-C151 HydrophobicContact CE1-CB 3.78Å; F125-C151 HydrophobicContact CZ-CB 4.35Å; C151-N153 PolarHBondContact O-N 3.41Å; C151-C154 PolarHBondContact SG-SG 3.17Å; C151-K155 WeakPolarHBondContact O-CA 3.42Å; C151-K155 PolarHBondContact O-N 3.07Å; C151-F156 HydrophobicContact CB-CB 4.17Å; C151-F156 PolarHBondContact N-O 3.4Å |
| 152 | T | 83.4 | Confident | 81.2 | Confident | 80 Ų | 80 | 64.9 Ų | 64.9 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -30.7 | 178.7 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | C124 A126 R150 | C124-T152 WeakPolarHBondContact CB-OG1 3.4Å; C124-T152 PolarHBondContact O-N 3.46Å; C124-T152 PolarHBondContact O-OG1 2.93Å; A126-T152 HydrophobicContact CB-CG2 4.01Å; R150-T152 PolarHBondContact O-N 3.26Å |
| 153 | N | 79.3 | Confident | 81.5 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -57.2 | -174.9 | -63.2 | -20.4 | 0 | 0 | 0 | 112.3 | G122 C151 C170 Q172 | G122-N153 PolarHBondContact O-ND2 2.9Å; C151-N153 PolarHBondContact O-N 3.41Å; N153-C170 VanDerWaalsContact CB-SG 3.52Å; N153-Q172 VanDerWaalsContact CA-NE2 3.35Å; N153-Q172 HydrophobicContact CB-CB 4.19Å; N153-Q172 HydrophobicContact CB-CG 4.06Å; N153-Q172 PolarHBondContact O-NE2 3.35Å |
| 154 | C | 77 | Confident | 81.6 | Confident | 12 Ų | 12 | 65.4 Ų | 65.4 | 8% | 0.081 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 1.1 | -174.2 | 67 | 0 | 0 | 0 | 0 | 113.8 | H123 C151 F156 C170 S171 R248 | H123-C154 PolarHBondContact CE1-SG 2.83Å; H123-C154 PolarHBondContact ND1-SG 3.16Å; C151-C154 PolarHBondContact SG-SG 3.17Å; C154-F156 PolarHBondContact O-N 2.76Å; C154-F156 VanDerWaalsContact O-N 3.17Å; C154-F156 WeakPolarHBondContact SG-CB 3.43Å; C154-C170 VanDerWaalsContact SG-SG 3.65Å; C154-S171 WeakPolarHBondContact CB-OG 3.03Å; C154-R248 VanDerWaalsContact O-CZ 3.3Å; C154-R248 PolarHBondContact O-NH2 3.23Å |
| 155 | K | 80.6 | Confident | 81.5 | Confident | 117 Ų | 117 | 70.6 Ų | 70.6 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | trans | 58.8 | 19.7 | -176.6 | -51.3 | -165.8 | 178.9 | -167.4 | 0 | 114.5 | C151 T157 | C151-K155 WeakPolarHBondContact O-CA 3.42Å; C151-K155 PolarHBondContact O-N 3.07Å; K155-T157 PolarHBondContact O-N 3.17Å; K155-T157 PolarHBondContact O-OG1 3.2Å | ||
| 156 | F | 81.2 | Confident | 82.2 | Confident | 25 Ų | 25 | 64.9 Ų | 64.9 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | trans | -64.2 | 126.3 | 170.9 | -168.8 | -88.7 | 0 | 0 | 0 | 109.1 | F125 D138 L139 R150 C151 C154 C158 I166 L168 | F125-F156 HydrophobicContact CE1-CD1 4.08Å; F125-F156 HydrophobicContact CZ-CD1 4.11Å; D138-F156 HydrophobicContact CB-CD1 4.31Å; D138-F156 HydrophobicContact CB-CD2 3.82Å; D138-F156 HydrophobicContact CB-CE1 4.02Å; D138-F156 HydrophobicContact CB-CE2 3.49Å; D138-F156 VanDerWaalsContact CB-CE2 3.49Å; D138-F156 HydrophobicContact CB-CG 4.22Å; D138-F156 HydrophobicContact CB-CZ 3.61Å; D138-F156 WeakPolarHBondContact OD2-CA 3.35Å; L139-F156 HydrophobicContact CB-CZ 4.32Å; R150-F156 CarbonylContact C-O 3.56Å; R150-F156 WeakPolarHBondContact CA-O 3.42Å; C151-F156 HydrophobicContact CB-CB 4.17Å; C151-F156 PolarHBondContact N-O 3.4Å; C154-F156 PolarHBondContact O-N 2.76Å; C154-F156 VanDerWaalsContact O-N 3.17Å; C154-F156 WeakPolarHBondContact SG-CB 3.43Å; F156-C158 HydrophobicContact CD1-CB 4.29Å; F156-C158 HydrophobicContact CE1-CB 3.92Å; F156-I166 HydrophobicContact CD1-CD1 4.01Å; F156-I166 HydrophobicContact CE1-CD1 3.54Å; F156-I166 HydrophobicContact CE1-CG1 3.96Å; F156-I166 HydrophobicContact CE1-CG2 4.48Å; F156-I166 HydrophobicContact CZ-CD1 4.48Å; F156-I166 HydrophobicContact CZ-CG1 4.48Å; F156-L168 HydrophobicContact CE2-CD1 4.09Å | ||
| 157 | T | 86.2 | Confident | 83 | Confident | 19 Ų | 19 | 62 Ų | 62 | 12% | 0.117 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 128.2 | -176.3 | -50.5 | 0 | 0 | 0 | 0 | 109 | C137 D138 A148 L149 K155 | C137-T157 CarbonylContact C-O 3.53Å; D138-T157 VanDerWaalsContact CB-O 3.3Å; D138-T157 WeakPolarHBondContact CB-O 3.35Å; D138-T157 PolarHBondContact N-O 2.9Å; D138-T157 PolarHBondContact OD2-N 2.89Å; A148-T157 HydrophobicContact CB-CG2 3.8Å; L149-T157 CarbonylContact O-C 3.54Å; L149-T157 WeakPolarHBondContact O-CA 3.26Å; K155-T157 PolarHBondContact O-N 3.17Å; K155-T157 PolarHBondContact O-OG1 3.2Å |
| 158 | C | 86.8 | Confident | 83 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 164.3 | -180 | 69.2 | 0 | 0 | 0 | 0 | 112.3 | L149 F156 C162 I166 | L149-C158 PolarHBondContact N-O 2.92Å; L149-C158 PolarHBondContact O-N 2.98Å; F156-C158 HydrophobicContact CD1-CB 4.29Å; F156-C158 HydrophobicContact CE1-CB 3.92Å; C158-C162 HydrophobicContact CB-CB 4.07Å; C158-I166 HydrophobicContact CB-CD1 4.17Å |
| 159 | H | 88 | Confident | 82.8 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 13% | 0.125 | 30% | 0.3 | C | S | . | . | trans | -64.3 | 152.9 | 164.3 | -60 | 97.6 | 0 | 0 | 0 | 110.5 | C137 C140 E143 E161 C162 R163 | C137-H159 WeakPolarHBondContact CB-CE1 3.13Å; C137-H159 WeakPolarHBondContact CB-ND1 3.31Å; C137-H159 PolarHBondContact SG-N 3.4Å; C137-H159 PolarHBondContact SG-ND1 2.94Å; C140-H159 PolarHBondContact SG-CE1 3.41Å; C140-H159 PolarHBondContact SG-ND1 3.2Å; E143-H159 PolarHBondContact O-NE2 3.34Å; H159-E161 VanDerWaalsContact CB-OE2 3.31Å; H159-E161 WeakPolarHBondContact CB-OE2 3.15Å; H159-E161 PolarHBondContact O-N 3.41Å; H159-C162 HydrophobicContact CB-CB 3.94Å; H159-C162 WeakPolarHBondContact O-CB 3.32Å; H159-C162 PolarHBondContact O-N 2.95Å; H159-C162 VanDerWaalsContact O-N 3.08Å; H159-R163 PolarHBondContact O-N 3.29Å | ||
| 160 | P | 85.2 | Confident | 82.5 | Confident | 50 Ų | 50 | 59.2 Ų | 59.2 | 33% | 0.325 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -41.2 | 169.1 | -25.6 | 35.4 | 0 | 0 | 0 | 112.4 | Q147 C162 R163 | Q147-P160 WeakPolarHBondContact O-CD 3.43Å; P160-C162 VanDerWaalsContact C-N 3.32Å; P160-C162 PolarHBondContact O-N 2.86Å; P160-R163 VanDerWaalsContact O-CB 3.26Å; P160-R163 WeakPolarHBondContact O-CB 3.24Å; P160-R163 PolarHBondContact O-N 2.7Å |
| 161 | E | 84.2 | Confident | 81.6 | Confident | 135 Ų | 135 | 57.8 Ų | 57.8 | 63% | 0.631 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -26 | -179.9 | -51.3 | 74.3 | -157.1 | 0 | 0 | 112.2 | H159 R163 | H159-E161 VanDerWaalsContact CB-OE2 3.31Å; H159-E161 WeakPolarHBondContact CB-OE2 3.15Å; H159-E161 PolarHBondContact O-N 3.41Å; E161-R163 VanDerWaalsContact C-N 3.28Å |
| 162 | C | 83.2 | Confident | 80.4 | Confident | 10 Ų | 10 | 63 Ų | 63 | 7% | 0.068 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -17 | 176.8 | -74.7 | 0 | 0 | 0 | 0 | 112.4 | C137 L139 C158 H159 P160 S164 L165 I166 | C137-C162 VanDerWaalsContact SG-SG 3.65Å; L139-C162 HydrophobicContact CB-CB 4.24Å; L139-C162 HydrophobicContact CD2-CB 3.7Å; L139-C162 WeakPolarHBondContact CD2-O 3.06Å; C158-C162 HydrophobicContact CB-CB 4.07Å; H159-C162 HydrophobicContact CB-CB 3.94Å; H159-C162 WeakPolarHBondContact O-CB 3.32Å; H159-C162 PolarHBondContact O-N 2.95Å; H159-C162 VanDerWaalsContact O-N 3.08Å; P160-C162 VanDerWaalsContact C-N 3.32Å; P160-C162 PolarHBondContact O-N 2.86Å; C162-S164 VanDerWaalsContact C-N 3.33Å; C162-S164 PolarHBondContact O-N 3.33Å; C162-L165 PolarHBondContact O-N 2.98Å; C162-L165 VanDerWaalsContact O-N 3.07Å; C162-I166 WeakPolarHBondContact O-CG1 3.35Å |
| 163 | R | 83.3 | Confident | 79 | Confident | 151 Ų | 151 | 63.4 Ų | 63.4 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -55 | -45.2 | -175.4 | -178.5 | -174.7 | 172.1 | 178.2 | -1.9 | 112.9 | F125 L149 H159 P160 E161 L165 I166 | F125-R163 HydrophobicContact CD2-CG 4.17Å; F125-R163 HydrophobicContact CE2-CG 4.31Å; L149-R163 HydrophobicContact CD1-CB 4.02Å; L149-R163 HydrophobicContact CD1-CG 4.23Å; H159-R163 PolarHBondContact O-N 3.29Å; P160-R163 VanDerWaalsContact O-CB 3.26Å; P160-R163 WeakPolarHBondContact O-CB 3.24Å; P160-R163 PolarHBondContact O-N 2.7Å; E161-R163 VanDerWaalsContact C-N 3.28Å; R163-L165 PolarHBondContact O-N 2.99Å; R163-I166 PolarHBondContact O-N 2.98Å |
| 164 | S | 79.1 | Confident | 77.5 | Confident | 107 Ų | 107 | 68.3 Ų | 68.3 | 75% | 0.748 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -73.3 | -11.5 | -177.3 | 54.6 | 0 | 0 | 0 | 0 | 113.7 | C162 | C162-S164 VanDerWaalsContact C-N 3.33Å; C162-S164 PolarHBondContact O-N 3.33Å |
| 165 | L | 81.2 | Confident | 76 | Confident | 112 Ų | 112 | 70.9 Ų | 70.9 | 59% | 0.586 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -98.9 | -1.4 | -178.3 | -58.9 | 177.5 | 0 | 0 | 0 | 112.5 | L139 C162 R163 Q167 | L139-L165 HydrophobicContact CD2-CB 3.55Å; L139-L165 HydrophobicContact CD2-CD1 4.49Å; C162-L165 PolarHBondContact O-N 2.98Å; C162-L165 VanDerWaalsContact O-N 3.07Å; R163-L165 PolarHBondContact O-N 2.99Å; L165-Q167 PolarHBondContact O-N 2.92Å |
| 166 | I | 79.8 | Confident | 74.4 | Confident | 11 Ų | 11 | 73.3 Ų | 73.3 | 6% | 0.056 | 39% | 0.39 | C | S | . | . | trans | -77.5 | 110.5 | -179.9 | -59.1 | 170.4 | 0 | 0 | 0 | 108.3 | G120 F125 L139 F156 C158 C162 R163 L168 | G120-I166 WeakPolarHBondContact CA-O 3.49Å; F125-I166 HydrophobicContact CE1-CD1 4.29Å; F125-I166 HydrophobicContact CE2-CD1 3.88Å; F125-I166 HydrophobicContact CZ-CD1 3.42Å; F125-I166 VanDerWaalsContact CZ-CD1 3.42Å; L139-I166 HydrophobicContact CD2-CG1 4.39Å; F156-I166 HydrophobicContact CD1-CD1 4.01Å; F156-I166 HydrophobicContact CE1-CD1 3.54Å; F156-I166 HydrophobicContact CE1-CG1 3.96Å; F156-I166 HydrophobicContact CE1-CG2 4.48Å; F156-I166 HydrophobicContact CZ-CD1 4.48Å; F156-I166 HydrophobicContact CZ-CG1 4.48Å; C158-I166 HydrophobicContact CB-CD1 4.17Å; C162-I166 WeakPolarHBondContact O-CG1 3.35Å; R163-I166 PolarHBondContact O-N 2.98Å; I166-L168 HydrophobicContact CG2-CB 4.13Å | ||
| 167 | Q | 79.6 | Confident | 72.7 | Confident | 149 Ų | 149 | 75.8 Ų | 75.8 | 70% | 0.696 | 41% | 0.41 | S | S | * | . | trans | -99.4 | 4 | 171.1 | -64.6 | -179.6 | -9.6 | 0 | 0 | 112 | E118 G120 L165 | E118-Q167 CarbonylContact C-O 3.49Å; E118-Q167 WeakPolarHBondContact CB-O 3.41Å; G120-Q167 PolarHBondContact N-O 2.85Å; L165-Q167 PolarHBondContact O-N 2.92Å | ||
| 168 | L | 77.8 | Confident | 70.3 | Confident | 29 Ų | 29 | 86.3 Ų | 86.3 | 15% | 0.152 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 122.7 | -179.9 | -74.7 | 170.9 | 0 | 0 | 0 | 110.5 | E118 G120 H123 F156 I166 P249 S279 | E118-L168 WeakPolarHBondContact OE2-CA 2.99Å; E118-L168 WeakPolarHBondContact OE2-CD2 3.29Å; G120-L168 WeakPolarHBondContact CA-O 3.45Å; H123-L168 PolarHBondContact CD2-O 2.87Å; H123-L168 PolarHBondContact NE2-O 3.17Å; F156-L168 HydrophobicContact CE2-CD1 4.09Å; I166-L168 HydrophobicContact CG2-CB 4.13Å; L168-P249 HydrophobicContact CD2-CG 4.33Å; L168-S279 WeakPolarHBondContact CD2-OG 3.43Å |
| 169 | D | 80.6 | Confident | 67.9 | Low | 49 Ų | 49 | 94.6 Ų | 94.6 | 26% | 0.262 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 160.3 | 177.5 | -68.6 | -18.1 | 0 | 0 | 0 | 111.9 | E118 R119 G120 E121 S171 | E118-D169 WeakPolarHBondContact CA-OD2 3.41Å; E118-D169 HydrophobicContact CB-CB 4.42Å; E118-D169 HydrophobicContact CG-CB 4.43Å; E118-D169 PolarHBondContact OE2-N 3.35Å; R119-D169 PolarHBondContact N-OD1 3.21Å; G120-D169 WeakPolarHBondContact CA-OD1 3.17Å; G120-D169 PolarHBondContact N-OD1 2.78Å; E121-D169 PolarHBondContact N-OD1 2.8Å; D169-S171 PolarHBondContact O-N 3.13Å |
| 170 | C | 81.6 | Confident | 65.2 | Low | 4 Ų | 4 | 103.8 Ų | 103.8 | 3% | 0.027 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 119.9 | -179.1 | -166.2 | 0 | 0 | 0 | 0 | 111.6 | E121 G122 N153 C154 Q172 Q173 | E121-C170 WeakPolarHBondContact O-CB 3.24Å; E121-C170 PolarHBondContact O-N 2.67Å; G122-C170 VanDerWaalsContact O-CB 3.28Å; G122-C170 WeakPolarHBondContact O-CB 3.45Å; N153-C170 VanDerWaalsContact CB-SG 3.52Å; C154-C170 VanDerWaalsContact SG-SG 3.65Å; C170-Q172 PolarHBondContact O-N 3.02Å; C170-Q173 WeakPolarHBondContact O-CB 3.47Å; C170-Q173 PolarHBondContact O-N 3.32Å |
| 171 | S | 68.6 | Low | 62.7 | Low | 66 Ų | 66 | 107.6 Ų | 107.6 | 46% | 0.462 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.9 | -3.4 | -177 | 71.5 | 0 | 0 | 0 | 0 | 116.3 | C154 D169 | C154-S171 WeakPolarHBondContact CB-OG 3.03Å; D169-S171 PolarHBondContact O-N 3.13Å |
| 172 | Q | 62.3 | Low | 60.2 | Low | 110 Ų | 110 | 105.7 Ų | 105.7 | 51% | 0.514 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.5 | -16.4 | 171.3 | -83.1 | -151.8 | 33.8 | 0 | 0 | 112.9 | N153 C170 E174 G175 | N153-Q172 VanDerWaalsContact CA-NE2 3.35Å; N153-Q172 HydrophobicContact CB-CB 4.19Å; N153-Q172 HydrophobicContact CB-CG 4.06Å; N153-Q172 PolarHBondContact O-NE2 3.35Å; C170-Q172 PolarHBondContact O-N 3.02Å; Q172-E174 VanDerWaalsContact C-N 3.26Å; Q172-E174 PolarHBondContact O-N 3.15Å; Q172-G175 PolarHBondContact O-N 3.2Å |
| 173 | Q | 52.8 | Low | 58.2 | Low | 88 Ų | 88 | 111 Ų | 111 | 41% | 0.411 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -70.3 | -23.1 | -179.2 | -162.9 | 165.9 | -8.1 | 0 | 0 | 112.7 | C170 G175 L176 | C170-Q173 WeakPolarHBondContact O-CB 3.47Å; C170-Q173 PolarHBondContact O-N 3.32Å; Q173-G175 PolarHBondContact O-N 3.37Å; Q173-G175 VanDerWaalsContact O-N 3.15Å; Q173-L176 PolarHBondContact O-N 3.06Å |
| 174 | E | 48.6 | Very low | 55.8 | Low | 164 Ų | 164 | 111.8 Ų | 111.8 | 77% | 0.766 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -64.2 | -14.9 | 172.9 | -64.9 | -163.4 | 151.3 | 0 | 0 | 113.6 | Q172 | Q172-E174 VanDerWaalsContact C-N 3.26Å; Q172-E174 PolarHBondContact O-N 3.15Å |
| 175 | G | 45.5 | Very low | 53.7 | Low | 66 Ų | 66 | 112.1 Ų | 112.1 | 68% | 0.68 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -87.7 | -14.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q172 Q173 | Q172-G175 PolarHBondContact O-N 3.2Å; Q173-G175 PolarHBondContact O-N 3.37Å; Q173-G175 VanDerWaalsContact O-N 3.15Å |
| 176 | L | 48.3 | Very low | 51.6 | Low | 168 Ų | 168 | 111.7 Ų | 111.7 | 88% | 0.88 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | -11.1 | -170.9 | -72 | 173.5 | 0 | 0 | 0 | 115 | Q173 | Q173-L176 PolarHBondContact O-N 3.06Š|
| 177 | S | 43.8 | Very low | 49.4 | Very low | 76 Ų | 76 | 117 Ų | 117 | 53% | 0.531 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -134.6 | 118.6 | 179.4 | 63 | 0 | 0 | 0 | 0 | 113.1 | ||
| 178 | R | 36.7 | Very low | 46.9 | Very low | 240 Ų | 240 | 116.4 Ų | 116.4 | 91% | 0.906 | 64% | 0.636 | S | S | * | * | trans | 86.9 | 92 | 172.5 | -82.2 | -175.3 | 165.1 | 178.9 | -3.1 | 118.3 | R180 | R178-R180 VanDerWaalsContact C-N 3.34Å; R178-R180 PolarHBondContact O-N 3.22Å | ||
| 179 | D | 36 | Very low | 45 | Very low | 174 Ų | 174 | 117.6 Ų | 117.6 | 93% | 0.93 | 64% | 0.644 | S | S | * | * | -3.7 | 83.5 | 115.7 | -139.8 | 0.4 | 0 | 0 | 0 | 114.6 | |||||
| 180 | R | 31 | Very low | 42.5 | Very low | 220 Ų | 220 | 120.6 Ų | 120.6 | 83% | 0.83 | 66% | 0.664 | S | S | * | * | trans | -146.2 | 126.6 | 162.2 | -148.5 | -178.2 | -170.3 | -120.5 | 1.1 | 106 | R178 S182 | R178-R180 VanDerWaalsContact C-N 3.34Å; R178-R180 PolarHBondContact O-N 3.22Å; R180-S182 PolarHBondContact O-N 2.99Å | ||
| 181 | P | 32.3 | Very low | 40.2 | Very low | 130 Ų | 130 | 128 Ų | 128 | 84% | 0.844 | 70% | 0.696 | S | S | * | * | trans | -70.3 | 96.9 | 179.5 | 26.8 | -30.8 | 0 | 0 | 0 | 108.7 | ||||
| 182 | S | 32.8 | Very low | 38.4 | Very low | 95 Ų | 95 | 128 Ų | 128 | 66% | 0.664 | 70% | 0.696 | S | S | * | * | trans | -76.8 | 136.4 | 159.2 | -174 | 0 | 0 | 0 | 0 | 107.5 | R180 E184 | R180-S182 PolarHBondContact O-N 2.99Å; S182-E184 PolarHBondContact O-N 2.9Å | ||
| 183 | P | 41.7 | Very low | 37.1 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -70.2 | 106.4 | 177.8 | 29.2 | -29.8 | 0 | 0 | 0 | 108.9 | ||
| 184 | E | 31.3 | Very low | 36 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | 34.8 | 87.8 | 157.2 | -75.1 | -179.4 | 107.7 | 0 | 0 | 117.7 | S182 T186 | S182-E184 PolarHBondContact O-N 2.9Å; E184-T186 PolarHBondContact O-N 2.84Å; E184-T186 VanDerWaalsContact O-N 3.08Å | ||
| 185 | S | 35.4 | Very low | 35.4 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -75.5 | 62.2 | 150.5 | 41.2 | 0 | 0 | 0 | 0 | 110.9 | L187 | S185-L187 PolarHBondContact O-N 2.84Š| ||
| 186 | T | 36.8 | Very low | 34.8 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 63% | 0.632 | 71% | 0.714 | S | S | * | * | trans | -77.4 | 69.5 | 169.9 | -50.5 | 0 | 0 | 0 | 0 | 109.8 | E184 | E184-T186 PolarHBondContact O-N 2.84Å; E184-T186 VanDerWaalsContact O-N 3.08Å | ||
| 187 | L | 33.8 | Very low | 33.8 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 64% | 0.644 | 71% | 0.71 | S | S | * | * | trans | -150.8 | 87.9 | 156.7 | -71.3 | -176.8 | 0 | 0 | 0 | 108.9 | S185 V189 | S185-L187 PolarHBondContact O-N 2.84Å; L187-V189 HydrophobicContact CB-CG2 4.02Å; L187-V189 PolarHBondContact O-N 3.29Å | ||
| 188 | T | 28.3 | Very low | 33.4 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | trans | -57.4 | 84.2 | 149.8 | 42.7 | 0 | 0 | 0 | 0 | 108 | T190 | T188-T190 PolarHBondContact O-N 3.35Š| ||
| 189 | V | 36.3 | Very low | 33.4 | Very low | 53 Ų | 53 | 128.2 Ų | 128.2 | 32% | 0.321 | 71% | 0.711 | S | S | . | * | trans | -75.9 | 88.9 | 167.5 | -179.4 | 0 | 0 | 0 | 0 | 105.7 | L187 F191 | L187-V189 HydrophobicContact CB-CG2 4.02Å; L187-V189 PolarHBondContact O-N 3.29Å; V189-F191 HydrophobicContact CG1-CD2 4.2Å; V189-F191 HydrophobicContact CG1-CE2 4.5Å; V189-F191 PolarHBondContact O-N 2.77Å | ||
| 190 | T | 28.8 | Very low | 33.7 | Very low | 113 Ų | 113 | 127 Ų | 127 | 69% | 0.693 | 70% | 0.7 | S | S | * | * | trans | -55.4 | 104.8 | 164.6 | -36.8 | 0 | 0 | 0 | 0 | 106.7 | T188 S192 | T188-T190 PolarHBondContact O-N 3.35Å; T190-S192 PolarHBondContact O-N 3.26Å | ||
| 191 | F | 34.6 | Very low | 34.1 | Very low | 158 Ų | 158 | 123.1 Ų | 123.1 | 69% | 0.693 | 69% | 0.692 | S | S | * | * | trans | -74 | 73.4 | 171 | -114.8 | -91.3 | 0 | 0 | 0 | 107.2 | V189 Q193 | V189-F191 HydrophobicContact CG1-CD2 4.2Å; V189-F191 HydrophobicContact CG1-CE2 4.5Å; V189-F191 PolarHBondContact O-N 2.77Å; F191-Q193 PolarHBondContact O-N 2.9Å | ||
| 192 | S | 30.4 | Very low | 34.3 | Very low | 67 Ų | 67 | 122.7 Ų | 122.7 | 47% | 0.469 | 69% | 0.687 | S | S | . | * | trans | -73.5 | 107.1 | 166.9 | -49.3 | 0 | 0 | 0 | 0 | 106.5 | T190 N194 | T190-S192 PolarHBondContact O-N 3.26Å; S192-N194 WeakPolarHBondContact CB-ND2 3.44Å; S192-N194 PolarHBondContact O-N 2.83Å | ||
| 193 | Q | 33.4 | Very low | 35.4 | Very low | 182 Ų | 182 | 124.1 Ų | 124.1 | 85% | 0.85 | 68% | 0.683 | S | S | * | * | trans | -65.2 | 58.9 | 155.4 | -76.6 | -179.4 | -20.7 | 0 | 0 | 108.7 | F191 V195 | F191-Q193 PolarHBondContact O-N 2.9Å; Q193-V195 VanDerWaalsContact C-N 3.26Å; Q193-V195 PolarHBondContact O-N 2.91Å; Q193-V195 VanDerWaalsContact O-N 3.08Å | ||
| 194 | N | 31.1 | Very low | 36.8 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 59% | 0.594 | 68% | 0.678 | S | S | * | * | trans | -78.2 | 95.1 | 161.9 | -71.1 | -27.7 | 0 | 0 | 0 | 104 | S192 C196 | S192-N194 WeakPolarHBondContact CB-ND2 3.44Å; S192-N194 PolarHBondContact O-N 2.83Å; N194-C196 PolarHBondContact O-N 3.27Å | ||
| 195 | V | 36.1 | Very low | 38.7 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | trans | -57.7 | 79.8 | 151.7 | -178.7 | 0 | 0 | 0 | 0 | 105.1 | Q193 K197 | Q193-V195 VanDerWaalsContact C-N 3.26Å; Q193-V195 PolarHBondContact O-N 2.91Å; Q193-V195 VanDerWaalsContact O-N 3.08Å; V195-K197 PolarHBondContact O-N 2.92Å | ||
| 196 | C | 32.2 | Very low | 40.8 | Very low | 71 Ų | 71 | 121.4 Ų | 121.4 | 48% | 0.48 | 65% | 0.652 | S | S | . | * | trans | -59.9 | 114.2 | 164.8 | -77.1 | 0 | 0 | 0 | 0 | 103.8 | N194 | N194-C196 PolarHBondContact O-N 3.27Š| ||
| 197 | K | 28.2 | Very low | 43.2 | Very low | 182 Ų | 182 | 119.9 Ų | 119.9 | 79% | 0.791 | 64% | 0.643 | S | S | * | * | trans | -35.2 | 130.5 | 166 | -68 | 179.7 | 176.8 | -178.5 | 0 | 107.6 | V195 V199 | V195-K197 PolarHBondContact O-N 2.92Å; K197-V199 VanDerWaalsContact C-N 3.33Å; K197-V199 PolarHBondContact O-N 2.7Å | ||
| 198 | P | 33.7 | Very low | 45.8 | Very low | 107 Ų | 107 | 119.1 Ų | 119.1 | 70% | 0.695 | 64% | 0.639 | S | S | * | * | trans | -55.8 | 110.3 | 171.8 | 24.3 | -29 | 0 | 0 | 0 | 104.9 | E200 | P198-E200 PolarHBondContact O-N 3.35Š| ||
| 199 | V | 36.9 | Very low | 48.8 | Very low | 127 Ų | 127 | 120.3 Ų | 120.3 | 77% | 0.77 | 64% | 0.635 | S | S | * | * | trans | -67.8 | 83.3 | 146.1 | 172.4 | 0 | 0 | 0 | 0 | 101.7 | K197 E201 | K197-V199 VanDerWaalsContact C-N 3.33Å; K197-V199 PolarHBondContact O-N 2.7Å; V199-E201 PolarHBondContact O-N 2.96Å | ||
| 200 | E | 43.7 | Very low | 51.3 | Low | 149 Ų | 149 | 120.4 Ų | 120.4 | 70% | 0.696 | 63% | 0.632 | S | S | * | * | trans | -60.1 | 84.3 | 158.2 | -142.9 | -178.9 | 159.4 | 0 | 0 | 102.7 | P198 T202 | P198-E200 PolarHBondContact O-N 3.35Å; E200-T202 PolarHBondContact O-N 3.17Å | ||
| 201 | E | 39.3 | Very low | 54.3 | Low | 139 Ų | 139 | 116 Ų | 116 | 65% | 0.65 | 60% | 0.604 | S | S | * | * | trans | -61 | 91.4 | 150.4 | -109.4 | -173.8 | 139.9 | 0 | 0 | 103.3 | V199 Q203 | V199-E201 PolarHBondContact O-N 2.96Å; E201-Q203 HydrophobicContact CB-CG 4.04Å; E201-Q203 HydrophobicContact CG-CG 4.25Å; E201-Q203 PolarHBondContact O-N 3.2Å; E201-Q203 PolarHBondContact OE1-NE2 3.23Å; E201-Q203 PolarHBondContact OE2-NE2 3.32Å | ||
| 202 | T | 36.2 | Very low | 57 | Low | 121 Ų | 121 | 114 Ų | 114 | 74% | 0.742 | 60% | 0.595 | S | S | * | * | trans | -64.5 | 58.9 | 164.2 | -44 | 0 | 0 | 0 | 0 | 107.1 | E200 R204 | E200-T202 PolarHBondContact O-N 3.17Å; T202-R204 PolarHBondContact O-N 2.97Å | ||
| 203 | Q | 55.5 | Low | 60 | Low | 124 Ų | 124 | 117 Ų | 117 | 58% | 0.579 | 60% | 0.602 | S | S | * | * | trans | -73.6 | 116.1 | 170.3 | -77.5 | -174.1 | 14.2 | 0 | 0 | 105.2 | E201 | E201-Q203 HydrophobicContact CB-CG 4.04Å; E201-Q203 HydrophobicContact CG-CG 4.25Å; E201-Q203 PolarHBondContact O-N 3.2Å; E201-Q203 PolarHBondContact OE1-NE2 3.23Å; E201-Q203 PolarHBondContact OE2-NE2 3.32Å | ||
| 204 | R | 70.4 | Confident | 62.8 | Low | 187 Ų | 187 | 112 Ų | 112 | 71% | 0.706 | 58% | 0.577 | S | S | * | * | trans | -41.5 | 140.7 | 165.8 | 59 | -172.8 | -173.1 | 174.9 | 5.8 | 109.7 | T202 P206 E210 | T202-R204 PolarHBondContact O-N 2.97Å; R204-P206 VanDerWaalsContact O-N 3.15Å; R204-E210 IonicContact NH2-OE1 2.7Å | ||
| 205 | P | 72.6 | Confident | 65.7 | Low | 117 Ų | 117 | 107 Ų | 107 | 76% | 0.76 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 125.8 | 176.2 | -24 | 32.1 | 0 | 0 | 0 | 109.2 | T207 | P205-T207 PolarHBondContact O-N 3.3Š|
| 206 | P | 78.3 | Confident | 68.4 | Low | 43 Ų | 43 | 104.5 Ų | 104.5 | 28% | 0.279 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 140.7 | -176.8 | 23.8 | -32.4 | 0 | 0 | 0 | 109.9 | R204 E210 I211 | R204-P206 VanDerWaalsContact O-N 3.15Å; P206-E210 VanDerWaalsContact CA-OE2 3.24Å; P206-E210 WeakPolarHBondContact CA-OE2 3.43Å; P206-E210 HydrophobicContact CB-CB 4.4Å; P206-E210 WeakPolarHBondContact CB-OE2 3.24Å; P206-I211 HydrophobicContact CB-CG1 4.15Å; P206-I211 HydrophobicContact CG-CD1 4.31Å; P206-I211 HydrophobicContact CG-CG1 4.14Å |
| 207 | T | 88.1 | Confident | 71.3 | Confident | 72 Ų | 72 | 104.2 Ų | 104.2 | 44% | 0.442 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 157.8 | 179 | 61.1 | 0 | 0 | 0 | 0 | 110.8 | P205 Q209 E210 I211 | P205-T207 PolarHBondContact O-N 3.3Å; T207-Q209 PolarHBondContact O-N 3.11Å; T207-E210 PolarHBondContact N-OE2 3.36Å; T207-E210 VanDerWaalsContact N-OE2 3.15Å; T207-E210 WeakPolarHBondContact O-CB 3.43Å; T207-E210 PolarHBondContact O-N 3.25Å; T207-E210 VanDerWaalsContact OG1-CG 3.24Å; T207-E210 WeakPolarHBondContact OG1-CG 3.3Å; T207-E210 PolarHBondContact OG1-N 2.79Å; T207-I211 WeakPolarHBondContact O-CG1 3.44Å; T207-I211 PolarHBondContact O-N 2.9Å |
| 208 | L | 87.9 | Confident | 74.3 | Confident | 107 Ų | 107 | 98 Ų | 98 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.6 | -35.1 | 177.4 | -72.9 | 178.8 | 0 | 0 | 0 | 112.6 | I211 K212 | L208-I211 HydrophobicContact CD2-CD1 4.5Å; L208-I211 PolarHBondContact O-N 3.22Å; L208-K212 WeakPolarHBondContact O-CB 3.49Å; L208-K212 PolarHBondContact O-N 2.98Å |
| 209 | Q | 90.3 | Very high | 77.2 | Confident | 160 Ų | 160 | 95.4 Ų | 95.4 | 75% | 0.748 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68 | -41.5 | 176.6 | -169.1 | 176.5 | 3.1 | 0 | 0 | 112 | T207 I211 K212 Q213 | T207-Q209 PolarHBondContact O-N 3.11Å; Q209-I211 VanDerWaalsContact C-N 3.34Å; Q209-K212 PolarHBondContact O-N 3.11Å; Q209-Q213 WeakPolarHBondContact O-CB 3.42Å; Q209-Q213 PolarHBondContact O-N 3.3Å |
| 210 | E | 90.2 | Very high | 79.9 | Confident | 56 Ų | 56 | 95.2 Ų | 95.2 | 26% | 0.262 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -40 | 173.6 | -73.4 | 169.8 | -173.8 | 0 | 0 | 111.6 | R204 P206 T207 Q213 K214 | R204-E210 IonicContact NH2-OE1 2.7Å; P206-E210 VanDerWaalsContact CA-OE2 3.24Å; P206-E210 WeakPolarHBondContact CA-OE2 3.43Å; P206-E210 HydrophobicContact CB-CB 4.4Å; P206-E210 WeakPolarHBondContact CB-OE2 3.24Å; T207-E210 PolarHBondContact N-OE2 3.36Å; T207-E210 VanDerWaalsContact N-OE2 3.15Å; T207-E210 WeakPolarHBondContact O-CB 3.43Å; T207-E210 PolarHBondContact O-N 3.25Å; T207-E210 VanDerWaalsContact OG1-CG 3.24Å; T207-E210 WeakPolarHBondContact OG1-CG 3.3Å; T207-E210 PolarHBondContact OG1-N 2.79Å; E210-Q213 PolarHBondContact O-N 2.99Å; E210-K214 WeakPolarHBondContact O-CB 3.2Å; E210-K214 VanDerWaalsContact O-CG 3.31Å; E210-K214 WeakPolarHBondContact O-CG 3.36Å; E210-K214 PolarHBondContact O-N 2.86Å |
| 211 | I | 90.7 | Very high | 82 | Confident | 20 Ų | 20 | 95.4 Ų | 95.4 | 10% | 0.103 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63 | -47.3 | 175.5 | -66.5 | 170.1 | 0 | 0 | 0 | 110.1 | P206 T207 L208 Q209 Q213 K214 I215 L230 Y236 | P206-I211 HydrophobicContact CB-CG1 4.15Å; P206-I211 HydrophobicContact CG-CD1 4.31Å; P206-I211 HydrophobicContact CG-CG1 4.14Å; T207-I211 WeakPolarHBondContact O-CG1 3.44Å; T207-I211 PolarHBondContact O-N 2.9Å; L208-I211 HydrophobicContact CD2-CD1 4.5Å; L208-I211 PolarHBondContact O-N 3.22Å; Q209-I211 VanDerWaalsContact C-N 3.34Å; I211-Q213 PolarHBondContact O-N 2.71Å; I211-K214 PolarHBondContact O-N 3.41Å; I211-I215 HydrophobicContact CG2-CD1 3.77Å; I211-I215 HydrophobicContact CG2-CG1 4.41Å; I211-I215 WeakPolarHBondContact O-CG1 3.38Å; I211-I215 PolarHBondContact O-N 3.23Å; I211-L230 HydrophobicContact CG2-CD1 4.14Å; I211-Y236 HydrophobicContact CD1-CE1 4.38Å; I211-Y236 HydrophobicContact CG2-CD1 3.71Å; I211-Y236 HydrophobicContact CG2-CE1 4.07Å; I211-Y236 HydrophobicContact CG2-CG 4.39Å |
| 212 | K | 91.1 | Very high | 84.3 | Confident | 116 Ų | 116 | 91.3 Ų | 91.3 | 50% | 0.504 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.3 | -49 | 177.1 | -173.1 | 177.5 | 178.7 | -179.9 | 0 | 111.3 | L208 Q209 K214 I215 D216 L230 | L208-K212 WeakPolarHBondContact O-CB 3.49Å; L208-K212 PolarHBondContact O-N 2.98Å; Q209-K212 PolarHBondContact O-N 3.11Å; K212-K214 VanDerWaalsContact C-N 3.33Å; K212-K214 PolarHBondContact O-N 3.04Å; K212-I215 PolarHBondContact O-N 2.88Å; K212-I215 VanDerWaalsContact O-N 3.17Å; K212-D216 VanDerWaalsContact O-CG 3.32Å; K212-D216 PolarHBondContact O-N 3.17Å; K212-L230 HydrophobicContact CB-CD2 4.02Å; K212-L230 HydrophobicContact CD-CD2 4.5Å; K212-L230 HydrophobicContact CG-CD2 4.17Å |
| 213 | Q | 93.4 | Very high | 86.3 | Confident | 130 Ų | 130 | 94.5 Ų | 94.5 | 61% | 0.607 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.9 | -39.7 | 178.5 | -170.6 | -179.2 | 8.9 | 0 | 0 | 112.5 | Q209 E210 I211 S217 | Q209-Q213 WeakPolarHBondContact O-CB 3.42Å; Q209-Q213 PolarHBondContact O-N 3.3Å; E210-Q213 PolarHBondContact O-N 2.99Å; I211-Q213 PolarHBondContact O-N 2.71Å; Q213-S217 VanDerWaalsContact O-CB 3.3Å; Q213-S217 WeakPolarHBondContact O-CB 3.4Å; Q213-S217 PolarHBondContact O-N 3.38Å; Q213-S217 PolarHBondContact O-OG 3.37Å |
| 214 | K | 92.1 | Very high | 87.3 | Confident | 77 Ų | 77 | 93.9 Ų | 93.9 | 34% | 0.335 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 175 | -78.6 | 175.2 | -178.6 | 174.3 | 0 | 112 | E210 I211 K212 Y218 P344 | E210-K214 WeakPolarHBondContact O-CB 3.2Å; E210-K214 VanDerWaalsContact O-CG 3.31Å; E210-K214 WeakPolarHBondContact O-CG 3.36Å; E210-K214 PolarHBondContact O-N 2.86Å; I211-K214 PolarHBondContact O-N 3.41Å; K212-K214 VanDerWaalsContact C-N 3.33Å; K212-K214 PolarHBondContact O-N 3.04Å; K214-Y218 WeakPolarHBondContact O-CB 3.37Å; K214-Y218 PolarHBondContact O-N 3.27Å; K214-P344 HydrophobicContact CB-CG 4Å |
| 215 | I | 93.2 | Very high | 87.6 | Confident | 7 Ų | 7 | 91 Ų | 91 | 4% | 0.036 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 176.2 | -73.3 | 170.4 | 0 | 0 | 0 | 110.4 | I211 K212 S217 Y218 N219 M228 L230 Y236 | I211-I215 HydrophobicContact CG2-CD1 3.77Å; I211-I215 HydrophobicContact CG2-CG1 4.41Å; I211-I215 WeakPolarHBondContact O-CG1 3.38Å; I211-I215 PolarHBondContact O-N 3.23Å; K212-I215 PolarHBondContact O-N 2.88Å; K212-I215 VanDerWaalsContact O-N 3.17Å; I215-S217 PolarHBondContact O-N 2.82Å; I215-Y218 PolarHBondContact O-N 3.36Å; I215-N219 WeakPolarHBondContact CG2-ND2 3.34Å; I215-N219 WeakPolarHBondContact O-CB 3.4Å; I215-N219 VanDerWaalsContact O-CG 3.23Å; I215-N219 PolarHBondContact O-N 2.89Å; I215-M228 HydrophobicContact CG1-CB 4.11Å; I215-M228 HydrophobicContact CG1-CE 4.4Å; I215-M228 HydrophobicContact CG1-SD 4.47Å; I215-M228 HydrophobicContact CG2-CB 3.96Å; I215-L230 HydrophobicContact CD1-CB 3.99Å; I215-L230 HydrophobicContact CD1-CD1 4.09Å; I215-Y236 HydrophobicContact CD1-CG 4.16Å |
| 216 | D | 92.8 | Very high | 88.3 | Confident | 82 Ų | 82 | 86.8 Ų | 86.8 | 44% | 0.439 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 178.9 | -67.1 | -24.2 | 0 | 0 | 0 | 110.5 | K212 Y218 N219 T220 | K212-D216 VanDerWaalsContact O-CG 3.32Å; K212-D216 PolarHBondContact O-N 3.17Å; D216-Y218 VanDerWaalsContact C-N 3.3Å; D216-Y218 PolarHBondContact O-N 3.49Å; D216-N219 PolarHBondContact O-N 3.42Å; D216-N219 VanDerWaalsContact O-N 3.16Å; D216-T220 PolarHBondContact O-N 3.33Å; D216-T220 PolarHBondContact O-OG1 3.47Å |
| 217 | S | 92.9 | Very high | 88.8 | Confident | 66 Ų | 66 | 85.8 Ų | 85.8 | 46% | 0.462 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.4 | -37.4 | 177 | -58.4 | 0 | 0 | 0 | 0 | 113 | Q213 I215 R221 | Q213-S217 VanDerWaalsContact O-CB 3.3Å; Q213-S217 WeakPolarHBondContact O-CB 3.4Å; Q213-S217 PolarHBondContact O-N 3.38Å; Q213-S217 PolarHBondContact O-OG 3.37Å; I215-S217 PolarHBondContact O-N 2.82Å; S217-R221 WeakPolarHBondContact O-CD 3.39Å; S217-R221 WeakPolarHBondContact O-CG 3.4Å |
| 218 | Y | 92.1 | Very high | 89 | Confident | 52 Ų | 52 | 83.2 Ų | 83.2 | 20% | 0.204 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68 | -48.3 | 174.2 | 172.2 | -91.9 | 0 | 0 | 0 | 110.8 | K214 I215 D216 T220 R221 E222 L226 M228 P344 | K214-Y218 WeakPolarHBondContact O-CB 3.37Å; K214-Y218 PolarHBondContact O-N 3.27Å; I215-Y218 PolarHBondContact O-N 3.36Å; D216-Y218 VanDerWaalsContact C-N 3.3Å; D216-Y218 PolarHBondContact O-N 3.49Å; Y218-T220 PolarHBondContact O-N 3.4Å; Y218-R221 PolarHBondContact O-N 2.74Å; Y218-E222 HydrophobicContact CD1-CB 4.41Å; Y218-E222 HydrophobicContact CE1-CB 4.01Å; Y218-E222 HydrophobicContact CE1-CG 4.05Å; Y218-E222 WeakPolarHBondContact O-CB 3.43Å; Y218-E222 PolarHBondContact O-N 3.2Å; Y218-L226 PolarHBondContact OH-O 3.39Å; Y218-M228 HydrophobicContact CD1-CB 4.31Å; Y218-M228 HydrophobicContact CD1-CG 3.73Å; Y218-M228 HydrophobicContact CD1-SD 3.96Å; Y218-M228 HydrophobicContact CE1-CG 3.73Å; Y218-M228 HydrophobicContact CE1-SD 4.27Å; Y218-M228 HydrophobicContact CG-SD 4.22Å; Y218-P344 HydrophobicContact CD2-CB 4.18Å |
| 219 | N | 93.2 | Very high | 89.2 | Confident | 51 Ų | 51 | 85.2 Ų | 85.2 | 27% | 0.273 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.3 | -36 | -177.4 | -73.5 | -13.6 | 0 | 0 | 0 | 113 | I215 D216 R221 E222 G227 M228 | I215-N219 WeakPolarHBondContact CG2-ND2 3.34Å; I215-N219 WeakPolarHBondContact O-CB 3.4Å; I215-N219 VanDerWaalsContact O-CG 3.23Å; I215-N219 PolarHBondContact O-N 2.89Å; D216-N219 PolarHBondContact O-N 3.42Å; D216-N219 VanDerWaalsContact O-N 3.16Å; N219-R221 PolarHBondContact O-N 3.41Å; N219-E222 PolarHBondContact O-N 2.98Å; N219-G227 WeakPolarHBondContact OD1-CA 3.3Å; N219-M228 PolarHBondContact ND2-O 3.28Å; N219-M228 PolarHBondContact OD1-N 2.79Å |
| 220 | T | 93.1 | Very high | 89.4 | Confident | 123 Ų | 123 | 80.8 Ų | 80.8 | 76% | 0.755 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.3 | -29.8 | 174.1 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | D216 Y218 | D216-T220 PolarHBondContact O-N 3.33Å; D216-T220 PolarHBondContact O-OG1 3.47Å; Y218-T220 PolarHBondContact O-N 3.4Å |
| 221 | R | 89.6 | Confident | 89.5 | Confident | 153 Ų | 153 | 80.6 Ų | 80.6 | 58% | 0.577 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -90.1 | -24.6 | 179.7 | -63.7 | 170.5 | 63.7 | -137.5 | 2.8 | 112.5 | S217 Y218 N219 | S217-R221 WeakPolarHBondContact O-CD 3.39Å; S217-R221 WeakPolarHBondContact O-CG 3.4Å; Y218-R221 PolarHBondContact O-N 2.74Å; N219-R221 PolarHBondContact O-N 3.41Å |
| 222 | E | 86.4 | Confident | 89.5 | Confident | 53 Ų | 53 | 89.2 Ų | 89.2 | 25% | 0.248 | 45% | 0.451 | C | S | . | . | trans | -84.8 | 114.6 | -174.9 | -169.1 | 56.1 | -136 | 0 | 0 | 111.3 | Y218 N219 L226 | Y218-E222 HydrophobicContact CD1-CB 4.41Å; Y218-E222 HydrophobicContact CE1-CB 4.01Å; Y218-E222 HydrophobicContact CE1-CG 4.05Å; Y218-E222 WeakPolarHBondContact O-CB 3.43Å; Y218-E222 PolarHBondContact O-N 3.2Å; N219-E222 PolarHBondContact O-N 2.98Å; E222-L226 HydrophobicContact CG-CB 4.01Å | ||
| 223 | K | 78.8 | Confident | 89.3 | Confident | 188 Ų | 188 | 90.7 Ų | 90.7 | 82% | 0.817 | 47% | 0.465 | S | S | * | . | trans | -96.9 | -8.4 | -173.2 | -61.4 | -176.9 | -179.3 | -177.7 | 0 | 114.5 | ||||
| 224 | N | 76.4 | Confident | 88.9 | Confident | 112 Ų | 112 | 85.2 Ų | 85.2 | 60% | 0.599 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -109.5 | 29.4 | -162.6 | -60.6 | -55 | 0 | 0 | 0 | 115.2 | L226 | N224-L226 HydrophobicContact CB-CD1 4.25Å; N224-L226 HydrophobicContact CB-CG 4.15Å; N224-L226 WeakPolarHBondContact O-CG 3.28Å; N224-L226 PolarHBondContact O-N 2.91Å |
| 225 | C | 77.4 | Confident | 88.8 | Confident | 125 Ų | 125 | 83.5 Ų | 83.5 | 85% | 0.845 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 57.6 | 13.1 | -172.8 | -54.7 | 0 | 0 | 0 | 0 | 114.4 | G227 | C225-G227 PolarHBondContact O-N 3.47Š|
| 226 | L | 86.3 | Confident | 88.8 | Confident | 29 Ų | 29 | 84.5 Ų | 84.5 | 15% | 0.152 | 44% | 0.443 | C | S | . | . | trans | -92.3 | 28 | 177.9 | -56.6 | 178.8 | 0 | 0 | 0 | 112.2 | Y218 E222 N224 F239 | Y218-L226 PolarHBondContact OH-O 3.39Å; E222-L226 HydrophobicContact CG-CB 4.01Å; N224-L226 HydrophobicContact CB-CD1 4.25Å; N224-L226 HydrophobicContact CB-CG 4.15Å; N224-L226 WeakPolarHBondContact O-CG 3.28Å; N224-L226 PolarHBondContact O-N 2.91Å; L226-F239 HydrophobicContact CB-CB 4.46Å; L226-F239 HydrophobicContact CB-CD2 4.08Å; L226-F239 HydrophobicContact CB-CG 4.48Å; L226-F239 HydrophobicContact CD2-CB 4.28Å; L226-F239 HydrophobicContact CD2-CD1 4.21Å; L226-F239 HydrophobicContact CD2-CD2 3.95Å; L226-F239 HydrophobicContact CD2-CE2 4.31Å; L226-F239 HydrophobicContact CD2-CG 3.89Å | ||
| 227 | G | 88.1 | Confident | 88.9 | Confident | 23 Ų | 23 | 81.9 Ų | 81.9 | 24% | 0.237 | 43% | 0.43 | C | S | . | . | trans | -64.5 | 152.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N219 C225 | N219-G227 WeakPolarHBondContact OD1-CA 3.3Å; C225-G227 PolarHBondContact O-N 3.47Å | ||
| 228 | M | 93.8 | Very high | 88.8 | Confident | 17 Ų | 17 | 79.1 Ų | 79.1 | 8% | 0.084 | 41% | 0.412 | C | S | . | . | trans | -84.4 | 148.9 | 170.4 | -64.6 | 179.6 | 76.8 | 0 | 0 | 110.1 | I215 Y218 N219 Y236 T237 | I215-M228 HydrophobicContact CG1-CB 4.11Å; I215-M228 HydrophobicContact CG1-CE 4.4Å; I215-M228 HydrophobicContact CG1-SD 4.47Å; I215-M228 HydrophobicContact CG2-CB 3.96Å; Y218-M228 HydrophobicContact CD1-CB 4.31Å; Y218-M228 HydrophobicContact CD1-CG 3.73Å; Y218-M228 HydrophobicContact CD1-SD 3.96Å; Y218-M228 HydrophobicContact CE1-CG 3.73Å; Y218-M228 HydrophobicContact CE1-SD 4.27Å; Y218-M228 HydrophobicContact CG-SD 4.22Å; N219-M228 PolarHBondContact ND2-O 3.28Å; N219-M228 PolarHBondContact OD1-N 2.79Å; M228-Y236 HydrophobicContact CE-CD2 3.42Å; M228-Y236 VanDerWaalsContact CE-CD2 3.42Å; M228-Y236 HydrophobicContact CE-CE2 3.71Å; M228-Y236 HydrophobicContact CE-CG 4.45Å; M228-T237 CarbonylContact C-O 3.55Å; M228-T237 WeakPolarHBondContact CA-O 3.33Å; M228-T237 WeakPolarHBondContact CB-O 3.13Å | ||
| 229 | K | 91.9 | Very high | 88.8 | Confident | 149 Ų | 149 | 80.1 Ų | 80.1 | 65% | 0.648 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124 | 132 | 176.1 | -64.5 | -176.7 | 179.1 | -177.3 | 0 | 109.7 | Y236 T237 | K229-Y236 CarbonylContact O-C 3.52Å; K229-Y236 WeakPolarHBondContact O-CA 3.24Å; K229-Y236 WeakPolarHBondContact O-CB 3.26Å; K229-T237 PolarHBondContact N-O 3.23Å; K229-T237 PolarHBondContact O-N 2.96Å |
| 230 | L | 93.8 | Very high | 88.7 | Confident | 67 Ų | 67 | 79.2 Ų | 79.2 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 131.2 | 170.3 | -172.9 | 66.9 | 0 | 0 | 0 | 108.8 | I211 K212 I215 | I211-L230 HydrophobicContact CG2-CD1 4.14Å; K212-L230 HydrophobicContact CB-CD2 4.02Å; K212-L230 HydrophobicContact CD-CD2 4.5Å; K212-L230 HydrophobicContact CG-CD2 4.17Å; I215-L230 HydrophobicContact CD1-CB 3.99Å; I215-L230 HydrophobicContact CD1-CD1 4.09Å |
| 231 | S | 92.9 | Very high | 88.6 | Confident | 52 Ų | 52 | 80 Ų | 80 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | trans | -92.3 | 162.6 | 172.2 | -72.6 | 0 | 0 | 0 | 0 | 111 | D233 G234 T235 | S231-D233 VanDerWaalsContact C-N 3.27Å; S231-D233 PolarHBondContact O-N 3.33Å; S231-G234 PolarHBondContact O-N 2.85Å; S231-G234 VanDerWaalsContact O-N 3.13Å; S231-T235 WeakPolarHBondContact CB-O 3.49Å; S231-T235 PolarHBondContact N-O 3.03Å | ||
| 232 | E | 89.2 | Confident | 88.6 | Confident | 202 Ų | 202 | 73.3 Ų | 73.3 | 94% | 0.944 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -35.6 | 179.8 | -63.3 | 176 | -170.1 | 0 | 0 | 112.5 | G234 | E232-G234 PolarHBondContact O-N 2.94Š|
| 233 | D | 87.8 | Confident | 88.7 | Confident | 146 Ų | 146 | 75.7 Ų | 75.7 | 78% | 0.781 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 5.4 | 178.3 | -50.6 | -41.8 | 0 | 0 | 0 | 113.8 | S231 T235 | S231-D233 VanDerWaalsContact C-N 3.27Å; S231-D233 PolarHBondContact O-N 3.33Å; D233-T235 PolarHBondContact O-N 3.46Å |
| 234 | G | 85.1 | Confident | 89 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 17% | 0.165 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 76.6 | -2.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S231 E232 | S231-G234 PolarHBondContact O-N 2.85Å; S231-G234 VanDerWaalsContact O-N 3.13Å; E232-G234 PolarHBondContact O-N 2.94Å |
| 235 | T | 90.4 | Very high | 89.2 | Confident | 41 Ų | 41 | 67.1 Ų | 67.1 | 25% | 0.252 | 35% | 0.35 | S | S | . | . | trans | -73.6 | 155.6 | 168.9 | 62.8 | 0 | 0 | 0 | 0 | 110.4 | S231 D233 S294 T295 | S231-T235 WeakPolarHBondContact CB-O 3.49Å; S231-T235 PolarHBondContact N-O 3.03Å; D233-T235 PolarHBondContact O-N 3.46Å; T235-S294 WeakPolarHBondContact CA-OG 3.49Å; T235-S294 WeakPolarHBondContact CB-OG 3.37Å; T235-T295 HydrophobicContact CG2-CG2 4.23Å | ||
| 236 | Y | 93 | Very high | 89.3 | Confident | 28 Ų | 28 | 63.1 Ų | 63.1 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 155.5 | 176.7 | 55.7 | -90.9 | 0 | 0 | 0 | 110.7 | I211 I215 M228 K229 S293 S294 F342 L343 | I211-Y236 HydrophobicContact CD1-CE1 4.38Å; I211-Y236 HydrophobicContact CG2-CD1 3.71Å; I211-Y236 HydrophobicContact CG2-CE1 4.07Å; I211-Y236 HydrophobicContact CG2-CG 4.39Å; I215-Y236 HydrophobicContact CD1-CG 4.16Å; M228-Y236 HydrophobicContact CE-CD2 3.42Å; M228-Y236 VanDerWaalsContact CE-CD2 3.42Å; M228-Y236 HydrophobicContact CE-CE2 3.71Å; M228-Y236 HydrophobicContact CE-CG 4.45Å; K229-Y236 CarbonylContact O-C 3.52Å; K229-Y236 WeakPolarHBondContact O-CA 3.24Å; K229-Y236 WeakPolarHBondContact O-CB 3.26Å; Y236-S293 CarbonylContact O-C 3.14Å; Y236-S293 VanDerWaalsContact O-CA 3.3Å; Y236-S293 WeakPolarHBondContact O-CA 3.21Å; Y236-S294 VanDerWaalsContact CZ-CB 3.46Å; Y236-S294 PolarHBondContact N-OG 2.94Å; Y236-S294 PolarHBondContact O-N 3.14Å; Y236-F342 HydrophobicContact CE2-CD2 4.3Å; Y236-L343 WeakPolarHBondContact OH-CD2 3.35Å |
| 237 | T | 93.8 | Very high | 88.6 | Confident | 26 Ų | 26 | 70 Ų | 70 | 16% | 0.16 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 156.5 | 178.2 | 68.2 | 0 | 0 | 0 | 0 | 110.8 | M228 K229 H291 I292 | M228-T237 CarbonylContact C-O 3.55Å; M228-T237 WeakPolarHBondContact CA-O 3.33Å; M228-T237 WeakPolarHBondContact CB-O 3.13Å; K229-T237 PolarHBondContact N-O 3.23Å; K229-T237 PolarHBondContact O-N 2.96Å; T237-H291 WeakPolarHBondContact CB-NE2 3.3Å; T237-H291 PolarHBondContact OG1-NE2 3.49Å; T237-I292 CarbonylContact C-O 3.45Å; T237-I292 WeakPolarHBondContact CA-O 3.08Å; T237-I292 WeakPolarHBondContact CB-O 3.33Å |
| 238 | G | 92.4 | Very high | 88 | Confident | 8 Ų | 8 | 75 Ų | 75 | 8% | 0.082 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.4 | -175.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | H291 I292 | G238-H291 WeakPolarHBondContact O-CA 3.29Å; G238-H291 PolarHBondContact O-CD2 3.07Å; G238-I292 PolarHBondContact N-O 3.44Å; G238-I292 PolarHBondContact O-N 3.26Å |
| 239 | F | 91.3 | Very high | 87.2 | Confident | 73 Ų | 73 | 75.9 Ų | 75.9 | 32% | 0.32 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 138.7 | -179 | -63.9 | -91.4 | 0 | 0 | 0 | 111.7 | L226 Q289 L290 H291 | L226-F239 HydrophobicContact CB-CB 4.46Å; L226-F239 HydrophobicContact CB-CD2 4.08Å; L226-F239 HydrophobicContact CB-CG 4.48Å; L226-F239 HydrophobicContact CD2-CB 4.28Å; L226-F239 HydrophobicContact CD2-CD1 4.21Å; L226-F239 HydrophobicContact CD2-CD2 3.95Å; L226-F239 HydrophobicContact CD2-CE2 4.31Å; L226-F239 HydrophobicContact CD2-CG 3.89Å; F239-Q289 HydrophobicContact CB-CG 4.41Å; F239-Q289 HydrophobicContact CD1-CG 4.15Å; F239-L290 CarbonylContact C-O 3.58Å; F239-L290 VanDerWaalsContact CA-O 3.24Å; F239-L290 WeakPolarHBondContact CA-O 3.49Å; F239-H291 HydrophobicContact CD1-CB 3.94Å; F239-H291 HydrophobicContact CE1-CB 3.7Å; F239-H291 AromaticContact CE1-CD2 3.99Å; F239-H291 AromaticContact CE2-CD2 3.96Å; F239-H291 HydrophobicContact CZ-CB 4.34Å; F239-H291 AromaticContact CZ-CD2 3.83Å |
| 240 | I | 91.1 | Very high | 86.8 | Confident | 33 Ų | 33 | 68.9 Ų | 68.9 | 17% | 0.169 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 156.7 | 167.1 | 68.6 | 175 | 0 | 0 | 0 | 110.5 | V242 Q289 L290 I292 F342 | I240-V242 HydrophobicContact CD1-CG2 3.69Å; I240-V242 HydrophobicContact CG1-CG2 4.05Å; I240-Q289 CarbonylContact O-C 3.5Å; I240-Q289 VanDerWaalsContact O-CA 3.3Å; I240-Q289 WeakPolarHBondContact O-CA 3.22Å; I240-L290 HydrophobicContact CG1-CB 4.07Å; I240-L290 PolarHBondContact N-O 3.43Å; I240-L290 PolarHBondContact O-N 2.73Å; I240-I292 HydrophobicContact CB-CD1 4.1Å; I240-I292 HydrophobicContact CD1-CD1 3.32Å; I240-I292 HydrophobicContact CG1-CD1 3.53Å; I240-I292 HydrophobicContact CG2-CD1 3.55Å; I240-F342 HydrophobicContact CG2-CB 4.04Å; I240-F342 HydrophobicContact CG2-CD1 4.01Å; I240-F342 HydrophobicContact CG2-CG 4.42Å |
| 241 | K | 90.5 | Very high | 86.2 | Confident | 139 Ų | 139 | 66.6 Ų | 66.6 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 116.7 | 169.7 | -67.3 | -177.6 | -178.9 | 179.3 | 0 | 109 | I287 | K241-I287 HydrophobicContact CB-CG2 4.23Å |
| 242 | V | 90.6 | Very high | 85.8 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 124.5 | 175.8 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | I240 L244 I287 K288 L290 V301 L305 L320 | I240-V242 HydrophobicContact CD1-CG2 3.69Å; I240-V242 HydrophobicContact CG1-CG2 4.05Å; V242-L244 HydrophobicContact CG1-CD1 4.31Å; V242-I287 WeakPolarHBondContact O-CA 3.32Å; V242-K288 PolarHBondContact N-O 3.02Å; V242-K288 PolarHBondContact O-N 2.97Å; V242-L290 HydrophobicContact CG2-CD1 3.89Å; V242-V301 HydrophobicContact CG2-CG1 4.38Å; V242-L305 HydrophobicContact CB-CD1 4.18Å; V242-L305 HydrophobicContact CG1-CD1 3.73Å; V242-L305 HydrophobicContact CG2-CD1 4.37Å; V242-L320 HydrophobicContact CG1-CD1 3.77Å; V242-L320 HydrophobicContact CG2-CD1 4.46Å |
| 243 | H | 87.3 | Confident | 85.4 | Confident | 102 Ų | 102 | 55.6 Ų | 55.6 | 47% | 0.472 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 116.7 | 172.4 | -71.5 | -112.2 | 0 | 0 | 0 | 109.2 | K245 I287 | H243-K245 HydrophobicContact CB-CG 4.45Å; H243-K245 PolarHBondContact O-N 2.85Å; H243-I287 WeakPolarHBondContact CE1-CD1 3.44Å |
| 244 | L | 86.5 | Confident | 85 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 98 | 176.1 | -71.3 | 79.5 | 0 | 0 | 0 | 108.6 | V242 L282 A286 K288 L305 F309 | V242-L244 HydrophobicContact CG1-CD1 4.31Å; L244-L282 HydrophobicContact CB-CD2 4Å; L244-L282 HydrophobicContact CD2-CD2 3.64Å; L244-L282 HydrophobicContact CG-CD2 4.49Å; L244-A286 HydrophobicContact CB-CB 4.33Å; L244-A286 WeakPolarHBondContact CB-O 3.43Å; L244-A286 WeakPolarHBondContact CD1-O 3.4Å; L244-A286 PolarHBondContact N-O 2.91Å; L244-K288 HydrophobicContact CD1-CB 4.12Å; L244-L305 HydrophobicContact CD1-CD2 4.32Å; L244-F309 HydrophobicContact CD1-CE2 4.32Å; L244-F309 HydrophobicContact CD2-CD2 3.62Å; L244-F309 HydrophobicContact CD2-CE2 3.4Å; L244-F309 VanDerWaalsContact CD2-CE2 3.4Å; L244-F309 HydrophobicContact CD2-CZ 4.15Å |
| 245 | K | 80.9 | Confident | 84.5 | Confident | 100 Ų | 100 | 51.1 Ų | 51.1 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | trans | -111.3 | 75.4 | 177.1 | -65 | -168.7 | 176.1 | -91.3 | 0 | 110.1 | H243 D285 | H243-K245 HydrophobicContact CB-CG 4.45Å; H243-K245 PolarHBondContact O-N 2.85Å; K245-D285 WeakPolarHBondContact CE-OD1 3.39Å; K245-D285 WeakPolarHBondContact CG-OD1 3.43Å; K245-D285 VanDerWaalsContact NZ-CG 3.34Å; K245-D285 IonicContact NZ-OD1 3.59Å; K245-D285 PolarHBondContact NZ-OD1 3.46Å; K245-D285 IonicContact NZ-OD2 3.3Å; K245-D285 PolarHBondContact NZ-OD2 2.76Å | ||
| 246 | L | 79.4 | Confident | 83.9 | Confident | 41 Ų | 41 | 50.6 Ų | 50.6 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | trans | -88 | 122.1 | 179.1 | -55.2 | -178.2 | 0 | 0 | 0 | 109.2 | V250 L282 F318 | L246-V250 HydrophobicContact CD1-CG1 3.38Å; L246-L282 HydrophobicContact CD1-CB 4.25Å; L246-L282 HydrophobicContact CD1-CD2 3.79Å; L246-L282 HydrophobicContact CG-CD2 4.46Å; L246-F318 HydrophobicContact CD1-CE1 3.99Å; L246-F318 HydrophobicContact CD2-CD1 3.75Å; L246-F318 HydrophobicContact CD2-CE1 3.72Å | ||
| 247 | R | 69.6 | Low | 83.2 | Confident | 174 Ų | 174 | 56.3 Ų | 56.3 | 66% | 0.657 | 27% | 0.27 | S | S | * | . | trans | -87.1 | -14 | 179.2 | -70.5 | -176.1 | 172 | -178.2 | -5 | 113.4 | ||||
| 248 | R | 76.8 | Confident | 82.4 | Confident | 127 Ų | 127 | 60 Ų | 60 | 48% | 0.479 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -114.1 | 151.3 | -178.2 | -64.5 | -175.7 | -178.4 | -163.7 | -6.7 | 109.3 | C154 | C154-R248 VanDerWaalsContact O-CZ 3.3Å; C154-R248 PolarHBondContact O-NH2 3.23Å |
| 249 | P | 77.7 | Confident | 81.7 | Confident | 36 Ų | 36 | 66.5 Ų | 66.5 | 23% | 0.234 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 142.5 | 167.3 | -22.1 | 31.4 | 0 | 0 | 0 | 110.7 | L168 F280 Y281 | L168-P249 HydrophobicContact CD2-CG 4.33Å; P249-F280 CarbonylContact C-O 3.38Å; P249-F280 WeakPolarHBondContact CA-O 3.3Å; P249-Y281 HydrophobicContact CG-CD2 4.31Å; P249-Y281 HydrophobicContact CG-CE1 4.05Å; P249-Y281 HydrophobicContact CG-CE2 3.79Å |
| 250 | V | 82.5 | Confident | 81.3 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 145.2 | 171.1 | -71.1 | 0 | 0 | 0 | 0 | 109.8 | L246 S279 F280 L282 V311 F318 | L246-V250 HydrophobicContact CD1-CG1 3.38Å; V250-S279 WeakPolarHBondContact O-CA 3.34Å; V250-F280 HydrophobicContact CG2-CD2 4.12Å; V250-F280 HydrophobicContact CG2-CE2 3.85Å; V250-F280 HydrophobicContact CG2-CZ 4.28Å; V250-F280 VanDerWaalsContact CG2-O 3.32Å; V250-F280 WeakPolarHBondContact CG2-O 2.98Å; V250-F280 PolarHBondContact N-O 2.82Å; V250-F280 PolarHBondContact O-N 2.84Å; V250-L282 HydrophobicContact CG2-CB 4.14Å; V250-V311 HydrophobicContact CB-CG1 3.88Å; V250-V311 HydrophobicContact CB-CG2 3.92Å; V250-V311 HydrophobicContact CG1-CG1 4.04Å; V250-V311 HydrophobicContact CG1-CG2 4.19Å; V250-V311 HydrophobicContact CG2-CG2 3.97Å; V250-F318 HydrophobicContact CG1-CE1 4.48Å; V250-F318 HydrophobicContact CG1-CZ 4.46Å |
| 251 | T | 81.6 | Confident | 80.9 | Confident | 19 Ų | 19 | 69.7 Ų | 69.7 | 12% | 0.117 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 130.2 | 176.1 | -48.5 | 0 | 0 | 0 | 0 | 109.3 | R277 V311 V312 D313 | T251-R277 HydrophobicContact CG2-CB 3.68Å; T251-R277 HydrophobicContact CG2-CG 3.93Å; T251-V311 WeakPolarHBondContact O-CA 3.43Å; T251-V312 HydrophobicContact CG2-CG2 3.67Å; T251-V312 WeakPolarHBondContact O-CG2 3.37Å; T251-V312 PolarHBondContact O-N 2.75Å; T251-D313 WeakPolarHBondContact CA-OD2 3.36Å; T251-D313 WeakPolarHBondContact CB-OD2 3.26Å; T251-D313 PolarHBondContact N-OD2 3.28Å; T251-D313 PolarHBondContact OG1-OD2 3.38Å; T251-D313 VanDerWaalsContact OG1-OD2 3.12Å |
| 252 | V | 83.8 | Confident | 80.4 | Confident | 14 Ų | 14 | 71.7 Ų | 71.7 | 9% | 0.085 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 160.9 | 170.2 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | R277 T278 F280 M310 | V252-R277 WeakPolarHBondContact O-CA 3.26Å; V252-T278 WeakPolarHBondContact CG2-O 3.47Å; V252-T278 WeakPolarHBondContact CG2-OG1 3.21Å; V252-T278 PolarHBondContact N-O 3.39Å; V252-T278 PolarHBondContact O-N 2.92Å; V252-F280 HydrophobicContact CB-CD1 4.35Å; V252-F280 HydrophobicContact CB-CE1 3.72Å; V252-F280 HydrophobicContact CB-CZ 4.49Å; V252-F280 HydrophobicContact CG1-CD1 3.98Å; V252-F280 HydrophobicContact CG1-CE1 3.11Å; V252-F280 HydrophobicContact CG1-CZ 3.45Å; V252-F280 VanDerWaalsContact CG1-CZ 3.45Å; V252-F280 HydrophobicContact CG2-CD1 3.52Å; V252-F280 HydrophobicContact CG2-CE1 3.25Å; V252-F280 HydrophobicContact CG2-CZ 4.41Å; V252-M310 WeakPolarHBondContact CG1-O 3.47Å |
| 253 | P | 82.1 | Confident | 80.1 | Confident | 9 Ų | 9 | 71.5 Ų | 71.5 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 141.1 | 174.2 | 6.5 | 8.8 | 0 | 0 | 0 | 110.1 | I256 A271 T274 K276 M310 V312 | P253-I256 HydrophobicContact CB-CD1 3.51Å; P253-I256 HydrophobicContact CB-CG1 3.78Å; P253-I256 HydrophobicContact CG-CD1 3.48Å; P253-I256 VanDerWaalsContact CG-CD1 3.48Å; P253-I256 HydrophobicContact CG-CG1 4.32Å; P253-I256 WeakPolarHBondContact O-CD1 3.42Å; P253-I256 WeakPolarHBondContact O-CG1 3Å; P253-A271 VanDerWaalsContact CG-CA 3.47Å; P253-A271 HydrophobicContact CG-CB 3.57Å; P253-T274 HydrophobicContact CB-CG2 3.47Å; P253-T274 VanDerWaalsContact CB-CG2 3.47Å; P253-K276 CarbonylContact C-O 3.43Å; P253-K276 WeakPolarHBondContact CA-O 3.21Å; P253-M310 WeakPolarHBondContact CD-O 3.34Å; P253-V312 HydrophobicContact CG-CG1 3.86Å |
| 254 | A | 78.6 | Confident | 79.7 | Confident | 17 Ų | 17 | 69.7 Ų | 69.7 | 14% | 0.14 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -111.9 | 148.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I256 T274 K276 T278 | A254-I256 PolarHBondContact O-N 3.16Å; A254-T274 VanDerWaalsContact O-CG2 3.28Å; A254-T274 WeakPolarHBondContact O-CG2 3.39Å; A254-T274 PolarHBondContact O-OG1 3.4Å; A254-K276 HydrophobicContact CB-CB 3.99Å; A254-K276 PolarHBondContact N-O 3.35Å; A254-T278 HydrophobicContact CB-CG2 3.52Å |
| 255 | G | 75.1 | Confident | 79.4 | Confident | 51 Ų | 51 | 75 Ų | 75 | 53% | 0.526 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 70.4 | 21.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R257 | G255-R257 PolarHBondContact O-N 3.05Š|
| 256 | I | 76.3 | Confident | 79.3 | Confident | 29 Ų | 29 | 78.2 Ų | 78.2 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 127.4 | 175.4 | -32.3 | 177.1 | 0 | 0 | 0 | 108.5 | F107 P253 A254 L270 T274 M310 | F107-I256 WeakPolarHBondContact CZ-O 3.45Å; P253-I256 HydrophobicContact CB-CD1 3.51Å; P253-I256 HydrophobicContact CB-CG1 3.78Å; P253-I256 HydrophobicContact CG-CD1 3.48Å; P253-I256 VanDerWaalsContact CG-CD1 3.48Å; P253-I256 HydrophobicContact CG-CG1 4.32Å; P253-I256 WeakPolarHBondContact O-CD1 3.42Å; P253-I256 WeakPolarHBondContact O-CG1 3Å; A254-I256 PolarHBondContact O-N 3.16Å; I256-L270 HydrophobicContact CG2-CB 4.01Å; I256-L270 HydrophobicContact CG2-CD2 3.86Å; I256-L270 HydrophobicContact CG2-CG 4.45Å; I256-T274 HydrophobicContact CG1-CG2 4.1Å; I256-M310 HydrophobicContact CD1-CE 3.32Å |
| 257 | R | 79.9 | Confident | 79.1 | Confident | 149 Ų | 149 | 84.9 Ų | 84.9 | 56% | 0.562 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 151.7 | 168.2 | 67.7 | -179.1 | -171 | 173.7 | 1.6 | 110.2 | G255 D263 | G255-R257 PolarHBondContact O-N 3.05Å; R257-D263 IonicContact CZ-OD1 3.88Å; R257-D263 IonicContact CZ-OD2 3.91Å; R257-D263 IonicContact NE-OD2 3.74Å; R257-D263 IonicContact NH2-OD1 2.81Å; R257-D263 PolarHBondContact NH2-OD1 2.89Å; R257-D263 IonicContact NH2-OD2 3.43Å; R257-D263 PolarHBondContact NH2-OD2 3.39Å |
| 258 | P | 77.4 | Confident | 79.3 | Confident | 104 Ų | 104 | 79.2 Ų | 79.2 | 68% | 0.675 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 142.3 | 170 | -25 | 34 | 0 | 0 | 0 | 111.6 | S260 | P258-S260 PolarHBondContact O-N 2.89Š|
| 259 | Q | 77.1 | Confident | 79.2 | Confident | 143 Ų | 143 | 77.7 Ų | 77.7 | 67% | 0.668 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 118.9 | -179.7 | -168.1 | 167.3 | -122.3 | 0 | 0 | 109.8 | D263 L270 | Q259-D263 HydrophobicContact CG-CB 4.38Å; Q259-L270 HydrophobicContact CB-CD1 3.8Å; Q259-L270 HydrophobicContact CG-CD1 3.73Å |
| 260 | S | 82.5 | Confident | 79 | Confident | 36 Ų | 36 | 76.8 Ų | 76.8 | 25% | 0.252 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -91.6 | 163.3 | 179.8 | 74.2 | 0 | 0 | 0 | 0 | 111.6 | P258 Y262 D263 A264 | P258-S260 PolarHBondContact O-N 2.89Å; S260-Y262 PolarHBondContact O-N 2.74Å; S260-D263 WeakPolarHBondContact CB-OD2 3.4Å; S260-D263 PolarHBondContact N-OD2 3.06Å; S260-D263 WeakPolarHBondContact O-CB 3.29Å; S260-D263 PolarHBondContact O-N 2.92Å; S260-D263 PolarHBondContact OG-N 3.39Å; S260-D263 PolarHBondContact OG-OD2 2.72Å; S260-A264 PolarHBondContact O-N 3.09Å |
| 261 | I | 82.1 | Confident | 78.4 | Confident | 138 Ų | 138 | 77.7 Ų | 77.7 | 71% | 0.708 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.2 | -34.5 | 176.3 | -56.5 | 170.8 | 0 | 0 | 0 | 110.8 | A264 I265 | I261-A264 PolarHBondContact O-N 2.81Å; I261-I265 HydrophobicContact CG2-CD1 3.99Å; I261-I265 VanDerWaalsContact O-CG1 3.31Å; I261-I265 WeakPolarHBondContact O-CG1 3.4Å; I261-I265 PolarHBondContact O-N 2.89Å; I261-I265 VanDerWaalsContact O-N 3.13Å |
| 262 | Y | 81.6 | Confident | 78.2 | Confident | 181 Ų | 181 | 80.6 Ų | 80.6 | 71% | 0.71 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.7 | -36.6 | 175.6 | -68.9 | -77.8 | 0 | 0 | 0 | 112.8 | S260 A264 I265 K266 | S260-Y262 PolarHBondContact O-N 2.74Å; Y262-A264 VanDerWaalsContact C-N 3.29Å; Y262-A264 PolarHBondContact O-N 2.79Å; Y262-I265 PolarHBondContact O-N 3.34Å; Y262-K266 WeakPolarHBondContact O-CB 3.49Å; Y262-K266 PolarHBondContact O-N 3.36Å |
| 263 | D | 82.7 | Confident | 77.8 | Confident | 9 Ų | 9 | 83.8 Ų | 83.8 | 5% | 0.048 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -67.1 | -35.4 | 178.4 | -56.6 | -45 | 0 | 0 | 0 | 110.7 | R257 Q259 S260 E267 V268 | R257-D263 IonicContact CZ-OD1 3.88Å; R257-D263 IonicContact CZ-OD2 3.91Å; R257-D263 IonicContact NE-OD2 3.74Å; R257-D263 IonicContact NH2-OD1 2.81Å; R257-D263 PolarHBondContact NH2-OD1 2.89Å; R257-D263 IonicContact NH2-OD2 3.43Å; R257-D263 PolarHBondContact NH2-OD2 3.39Å; Q259-D263 HydrophobicContact CG-CB 4.38Å; S260-D263 WeakPolarHBondContact CB-OD2 3.4Å; S260-D263 PolarHBondContact N-OD2 3.06Å; S260-D263 WeakPolarHBondContact O-CB 3.29Å; S260-D263 PolarHBondContact O-N 2.92Å; S260-D263 PolarHBondContact OG-N 3.39Å; S260-D263 PolarHBondContact OG-OD2 2.72Å; D263-E267 PolarHBondContact O-N 3.34Å; D263-E267 VanDerWaalsContact O-N 3.08Å; D263-V268 HydrophobicContact CB-CB 4.48Å; D263-V268 PolarHBondContact O-N 2.97Å; D263-V268 VanDerWaalsContact O-N 3.13Å |
| 264 | A | 78.7 | Confident | 77.5 | Confident | 64 Ų | 64 | 84.8 Ų | 84.8 | 53% | 0.529 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S260 I261 Y262 K266 | S260-A264 PolarHBondContact O-N 3.09Å; I261-A264 PolarHBondContact O-N 2.81Å; Y262-A264 VanDerWaalsContact C-N 3.29Å; Y262-A264 PolarHBondContact O-N 2.79Å; A264-K266 VanDerWaalsContact C-N 3.34Å |
| 265 | I | 81.4 | Confident | 77.3 | Confident | 132 Ų | 132 | 90.1 Ų | 90.1 | 68% | 0.677 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.8 | -33.8 | 179.3 | -64.5 | 163.9 | 0 | 0 | 0 | 111.6 | I261 Y262 | I261-I265 HydrophobicContact CG2-CD1 3.99Å; I261-I265 VanDerWaalsContact O-CG1 3.31Å; I261-I265 WeakPolarHBondContact O-CG1 3.4Å; I261-I265 PolarHBondContact O-N 2.89Å; I261-I265 VanDerWaalsContact O-N 3.13Å; Y262-I265 PolarHBondContact O-N 3.34Å |
| 266 | K | 78.9 | Confident | 77.3 | Confident | 167 Ų | 167 | 94.8 Ų | 94.8 | 73% | 0.726 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 1.4 | -178.8 | -77.7 | -166.8 | 174.6 | -168.4 | 0 | 114.6 | Y262 A264 V268 | Y262-K266 WeakPolarHBondContact O-CB 3.49Å; Y262-K266 PolarHBondContact O-N 3.36Å; A264-K266 VanDerWaalsContact C-N 3.34Å; K266-V268 HydrophobicContact CB-CG2 3.59Å; K266-V268 PolarHBondContact O-N 2.83Å |
| 267 | E | 73.9 | Confident | 77.6 | Confident | 180 Ų | 180 | 98.1 Ų | 98.1 | 84% | 0.841 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 43.6 | -173.5 | -61.1 | -163.9 | 161 | 0 | 0 | 113.5 | D263 N269 | D263-E267 PolarHBondContact O-N 3.34Å; D263-E267 VanDerWaalsContact O-N 3.08Å; E267-N269 PolarHBondContact O-N 2.7Å |
| 268 | V | 74.1 | Confident | 77.5 | Confident | 56 Ų | 56 | 94.4 Ų | 94.4 | 34% | 0.339 | 50% | 0.497 | S | S | . | . | trans | -72.7 | 129.9 | -175.5 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | D263 K266 L270 T273 | D263-V268 HydrophobicContact CB-CB 4.48Å; D263-V268 PolarHBondContact O-N 2.97Å; D263-V268 VanDerWaalsContact O-N 3.13Å; K266-V268 HydrophobicContact CB-CG2 3.59Å; K266-V268 PolarHBondContact O-N 2.83Å; V268-L270 PolarHBondContact O-N 3.36Å; V268-T273 HydrophobicContact CG1-CG2 4.13Å | ||
| 269 | N | 74.9 | Confident | 77.7 | Confident | 95 Ų | 95 | 92 Ų | 92 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | trans | -73 | 95.8 | 170.4 | -170 | -16.2 | 0 | 0 | 0 | 110.1 | E267 A271 A272 | E267-N269 PolarHBondContact O-N 2.7Å; N269-A271 PolarHBondContact O-N 2.87Å; N269-A271 VanDerWaalsContact O-N 3.11Å; N269-A271 VanDerWaalsContact OD1-CB 3.29Å; N269-A271 WeakPolarHBondContact OD1-CB 3.33Å; N269-A271 PolarHBondContact OD1-N 3Å; N269-A271 VanDerWaalsContact OD1-N 3.08Å; N269-A272 HydrophobicContact CB-CB 4.35Å; N269-A272 WeakPolarHBondContact O-CB 3.46Å; N269-A272 PolarHBondContact O-N 3.24Å | ||
| 270 | L | 73.4 | Confident | 77.6 | Confident | 16 Ų | 16 | 89 Ų | 89 | 8% | 0.084 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -53.2 | -31.3 | 178 | -78.3 | 164.3 | 0 | 0 | 0 | 113.1 | I256 Q259 V268 A272 T273 M310 | I256-L270 HydrophobicContact CG2-CB 4.01Å; I256-L270 HydrophobicContact CG2-CD2 3.86Å; I256-L270 HydrophobicContact CG2-CG 4.45Å; Q259-L270 HydrophobicContact CB-CD1 3.8Å; Q259-L270 HydrophobicContact CG-CD1 3.73Å; V268-L270 PolarHBondContact O-N 3.36Å; L270-A272 PolarHBondContact O-N 3.12Å; L270-T273 PolarHBondContact O-N 2.76Å; L270-T273 VanDerWaalsContact O-N 3.16Å; L270-T273 PolarHBondContact O-OG1 3.17Å; L270-M310 HydrophobicContact CB-CE 4.15Å |
| 271 | A | 70.6 | Confident | 76.9 | Confident | 22 Ų | 22 | 92.3 Ų | 92.3 | 18% | 0.182 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -66.8 | -24.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | P253 N269 T273 V312 | P253-A271 VanDerWaalsContact CG-CA 3.47Å; P253-A271 HydrophobicContact CG-CB 3.57Å; N269-A271 PolarHBondContact O-N 2.87Å; N269-A271 VanDerWaalsContact O-N 3.11Å; N269-A271 VanDerWaalsContact OD1-CB 3.29Å; N269-A271 WeakPolarHBondContact OD1-CB 3.33Å; N269-A271 PolarHBondContact OD1-N 3Å; N269-A271 VanDerWaalsContact OD1-N 3.08Å; A271-T273 VanDerWaalsContact C-N 3.33Å; A271-V312 HydrophobicContact CB-CG1 3.65Å |
| 272 | A | 76.3 | Confident | 76.2 | Confident | 81 Ų | 81 | 86.3 Ų | 86.3 | 67% | 0.669 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -85.8 | -4.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N269 L270 T274 | N269-A272 HydrophobicContact CB-CB 4.35Å; N269-A272 WeakPolarHBondContact O-CB 3.46Å; N269-A272 PolarHBondContact O-N 3.24Å; L270-A272 PolarHBondContact O-N 3.12Å; A272-T274 VanDerWaalsContact C-N 3.33Å |
| 273 | T | 76.3 | Confident | 75.4 | Confident | 81 Ų | 81 | 82.2 Ų | 82.2 | 50% | 0.497 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -82.8 | -10.1 | -176.4 | 65.8 | 0 | 0 | 0 | 0 | 113.8 | V268 L270 A271 | V268-T273 HydrophobicContact CG1-CG2 4.13Å; L270-T273 PolarHBondContact O-N 2.76Å; L270-T273 VanDerWaalsContact O-N 3.16Å; L270-T273 PolarHBondContact O-OG1 3.17Å; A271-T273 VanDerWaalsContact C-N 3.33Å |
| 274 | T | 75.6 | Confident | 74 | Confident | 29 Ų | 29 | 88 Ų | 88 | 18% | 0.178 | 47% | 0.47 | C | S | . | . | trans | -145.1 | 137.5 | -177 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | P253 A254 I256 A272 K276 | P253-T274 HydrophobicContact CB-CG2 3.47Å; P253-T274 VanDerWaalsContact CB-CG2 3.47Å; A254-T274 VanDerWaalsContact O-CG2 3.28Å; A254-T274 WeakPolarHBondContact O-CG2 3.39Å; A254-T274 PolarHBondContact O-OG1 3.4Å; I256-T274 HydrophobicContact CG1-CG2 4.1Å; A272-T274 VanDerWaalsContact C-N 3.33Å; T274-K276 PolarHBondContact OG1-N 3.07Å | ||
| 275 | D | 74.1 | Confident | 73.2 | Confident | 129 Ų | 129 | 89.1 Ų | 89.1 | 69% | 0.69 | 47% | 0.467 | S | S | * | . | trans | -88.1 | -9.2 | 171.3 | -82.2 | -50.2 | 0 | 0 | 0 | 113.2 | R277 | D275-R277 PolarHBondContact O-N 3.15Å; D275-R277 PolarHBondContact O-NH1 3.43Å; D275-R277 IonicContact OD1-NH1 3.39Å; D275-R277 PolarHBondContact OD1-NH1 2.7Å; D275-R277 IonicContact OD1-NH2 2.72Å | ||
| 276 | K | 76.6 | Confident | 73.1 | Confident | 150 Ų | 150 | 83.9 Ų | 83.9 | 65% | 0.652 | 44% | 0.444 | S | S | * | . | trans | -71.6 | 130.4 | 176.5 | -60.7 | -176.5 | 179.5 | -177.3 | 0 | 108.4 | P253 A254 T274 | P253-K276 CarbonylContact C-O 3.43Å; P253-K276 WeakPolarHBondContact CA-O 3.21Å; A254-K276 HydrophobicContact CB-CB 3.99Å; A254-K276 PolarHBondContact N-O 3.35Å; T274-K276 PolarHBondContact OG1-N 3.07Å | ||
| 277 | R | 81.4 | Confident | 73.5 | Confident | 99 Ų | 99 | 80.5 Ų | 80.5 | 37% | 0.374 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 137 | -174.5 | -71.4 | 158.4 | 173.9 | 90.6 | -3.9 | 108.7 | C140 T251 V252 D275 | C140-R277 PolarHBondContact O-NE 2.98Å; C140-R277 PolarHBondContact O-NH2 2.88Å; T251-R277 HydrophobicContact CG2-CB 3.68Å; T251-R277 HydrophobicContact CG2-CG 3.93Å; V252-R277 WeakPolarHBondContact O-CA 3.26Å; D275-R277 PolarHBondContact O-N 3.15Å; D275-R277 PolarHBondContact O-NH1 3.43Å; D275-R277 IonicContact OD1-NH1 3.39Å; D275-R277 PolarHBondContact OD1-NH1 2.7Å; D275-R277 IonicContact OD1-NH2 2.72Å |
| 278 | T | 79 | Confident | 74.2 | Confident | 71 Ų | 71 | 75.6 Ų | 75.6 | 44% | 0.436 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 139.1 | 172.1 | 47.1 | 0 | 0 | 0 | 0 | 109.1 | V252 A254 | V252-T278 WeakPolarHBondContact CG2-O 3.47Å; V252-T278 WeakPolarHBondContact CG2-OG1 3.21Å; V252-T278 PolarHBondContact N-O 3.39Å; V252-T278 PolarHBondContact O-N 2.92Å; A254-T278 HydrophobicContact CB-CG2 3.52Å |
| 279 | S | 81.2 | Confident | 74.9 | Confident | 53 Ų | 53 | 76.9 Ų | 76.9 | 37% | 0.371 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 133.5 | 176.8 | 43.3 | 0 | 0 | 0 | 0 | 110.7 | L168 V250 | L168-S279 WeakPolarHBondContact CD2-OG 3.43Å; V250-S279 WeakPolarHBondContact O-CA 3.34Å |
| 280 | F | 73.9 | Confident | 75.7 | Confident | 80 Ų | 80 | 74 Ų | 74 | 35% | 0.351 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 156.7 | 170.1 | 66.9 | -108 | 0 | 0 | 0 | 111.4 | P249 V250 V252 L282 | P249-F280 CarbonylContact C-O 3.38Å; P249-F280 WeakPolarHBondContact CA-O 3.3Å; V250-F280 HydrophobicContact CG2-CD2 4.12Å; V250-F280 HydrophobicContact CG2-CE2 3.85Å; V250-F280 HydrophobicContact CG2-CZ 4.28Å; V250-F280 VanDerWaalsContact CG2-O 3.32Å; V250-F280 WeakPolarHBondContact CG2-O 2.98Å; V250-F280 PolarHBondContact N-O 2.82Å; V250-F280 PolarHBondContact O-N 2.84Å; V252-F280 HydrophobicContact CB-CD1 4.35Å; V252-F280 HydrophobicContact CB-CE1 3.72Å; V252-F280 HydrophobicContact CB-CZ 4.49Å; V252-F280 HydrophobicContact CG1-CD1 3.98Å; V252-F280 HydrophobicContact CG1-CE1 3.11Å; V252-F280 HydrophobicContact CG1-CZ 3.45Å; V252-F280 VanDerWaalsContact CG1-CZ 3.45Å; V252-F280 HydrophobicContact CG2-CD1 3.52Å; V252-F280 HydrophobicContact CG2-CE1 3.25Å; V252-F280 HydrophobicContact CG2-CZ 4.41Å; F280-L282 HydrophobicContact CE2-CD1 4.15Å; F280-L282 PolarHBondContact O-N 2.8Å |
| 281 | Y | 67.8 | Low | 76.6 | Confident | 106 Ų | 106 | 78.4 Ų | 78.4 | 42% | 0.416 | 42% | 0.416 | S | S | . | . | trans | -75.8 | 115.2 | 169 | -71 | -92 | 0 | 0 | 0 | 109.5 | P249 | P249-Y281 HydrophobicContact CG-CD2 4.31Å; P249-Y281 HydrophobicContact CG-CE1 4.05Å; P249-Y281 HydrophobicContact CG-CE2 3.79Å | ||
| 282 | L | 68.6 | Low | 77.7 | Confident | 12 Ų | 12 | 78.2 Ų | 78.2 | 6% | 0.063 | 41% | 0.411 | C | S | . | . | trans | -54.3 | 137.4 | 170.6 | -170.4 | 73.7 | 0 | 0 | 0 | 108.2 | L244 L246 V250 F280 L284 F309 | L244-L282 HydrophobicContact CB-CD2 4Å; L244-L282 HydrophobicContact CD2-CD2 3.64Å; L244-L282 HydrophobicContact CG-CD2 4.49Å; L246-L282 HydrophobicContact CD1-CB 4.25Å; L246-L282 HydrophobicContact CD1-CD2 3.79Å; L246-L282 HydrophobicContact CG-CD2 4.46Å; V250-L282 HydrophobicContact CG2-CB 4.14Å; F280-L282 HydrophobicContact CE2-CD1 4.15Å; F280-L282 PolarHBondContact O-N 2.8Å; L282-L284 PolarHBondContact O-N 2.86Å; L282-F309 HydrophobicContact CD1-CB 4.29Å; L282-F309 HydrophobicContact CD1-CD1 3.94Å; L282-F309 HydrophobicContact CD1-CG 4.22Å | ||
| 283 | P | 63.8 | Low | 78.5 | Confident | 95 Ų | 95 | 75.8 Ų | 75.8 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | trans | -45.4 | 112.2 | 178.9 | -30.1 | 35.1 | 0 | 0 | 0 | 110.2 | D285 A286 | P283-D285 PolarHBondContact O-N 2.96Å; P283-A286 PolarHBondContact O-N 2.72Å; P283-A286 VanDerWaalsContact O-N 3.17Å | ||
| 284 | L | 53.5 | Low | 79.1 | Confident | 130 Ų | 130 | 73 Ų | 73 | 68% | 0.681 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 116 | -172.9 | -67.7 | 160.2 | 0 | 0 | 0 | 106.7 | L282 | L282-L284 PolarHBondContact O-N 2.86Š|
| 285 | D | 63.2 | Low | 79.8 | Confident | 87 Ų | 87 | 75.8 Ų | 75.8 | 47% | 0.465 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 36.5 | -178.2 | -55.8 | -30.1 | 0 | 0 | 0 | 117.7 | K245 P283 I287 | K245-D285 WeakPolarHBondContact CE-OD1 3.39Å; K245-D285 WeakPolarHBondContact CG-OD1 3.43Å; K245-D285 VanDerWaalsContact NZ-CG 3.34Å; K245-D285 IonicContact NZ-OD1 3.59Å; K245-D285 PolarHBondContact NZ-OD1 3.46Å; K245-D285 IonicContact NZ-OD2 3.3Å; K245-D285 PolarHBondContact NZ-OD2 2.76Å; P283-D285 PolarHBondContact O-N 2.96Å; D285-I287 PolarHBondContact O-N 3.33Å |
| 286 | A | 79.3 | Confident | 80.7 | Confident | 23 Ų | 23 | 70.7 Ų | 70.7 | 19% | 0.19 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 120.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L244 P283 F309 | L244-A286 HydrophobicContact CB-CB 4.33Å; L244-A286 WeakPolarHBondContact CB-O 3.43Å; L244-A286 WeakPolarHBondContact CD1-O 3.4Å; L244-A286 PolarHBondContact N-O 2.91Å; P283-A286 PolarHBondContact O-N 2.72Å; P283-A286 VanDerWaalsContact O-N 3.17Å; A286-F309 HydrophobicContact CB-CZ 4.47Å |
| 287 | I | 86.1 | Confident | 81.4 | Confident | 95 Ų | 95 | 65.6 Ų | 65.6 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.8 | 171.6 | -56.7 | 174.5 | 0 | 0 | 0 | 107.9 | K241 V242 H243 D285 | K241-I287 HydrophobicContact CB-CG2 4.23Å; V242-I287 WeakPolarHBondContact O-CA 3.32Å; H243-I287 WeakPolarHBondContact CE1-CD1 3.44Å; D285-I287 PolarHBondContact O-N 3.33Å |
| 288 | K | 87.8 | Confident | 81.8 | Confident | 77 Ų | 77 | 61 Ų | 61 | 34% | 0.335 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123.6 | 173.7 | -165.6 | 64 | -175.6 | 167.5 | 0 | 111.3 | V242 L244 L290 L305 | V242-K288 PolarHBondContact N-O 3.02Å; V242-K288 PolarHBondContact O-N 2.97Å; L244-K288 HydrophobicContact CD1-CB 4.12Å; K288-L290 HydrophobicContact CG-CD2 3.61Å; K288-L290 HydrophobicContact CG-CG 4.27Å; K288-L305 HydrophobicContact CB-CD2 3.95Å; K288-L305 HydrophobicContact CG-CD2 3.98Å |
| 289 | Q | 90.1 | Very high | 82.3 | Confident | 84 Ų | 84 | 59.4 Ų | 59.4 | 39% | 0.393 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 126.4 | 167.1 | -171.8 | 168.3 | 44.1 | 0 | 0 | 109.3 | F239 I240 | F239-Q289 HydrophobicContact CB-CG 4.41Å; F239-Q289 HydrophobicContact CD1-CG 4.15Å; I240-Q289 CarbonylContact O-C 3.5Å; I240-Q289 VanDerWaalsContact O-CA 3.3Å; I240-Q289 WeakPolarHBondContact O-CA 3.22Å |
| 290 | L | 91.9 | Very high | 82.8 | Confident | 35 Ų | 35 | 61.8 Ų | 61.8 | 18% | 0.183 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.5 | -178.6 | -58.5 | 178.5 | 0 | 0 | 0 | 109.3 | F239 I240 V242 K288 I292 V301 L305 | F239-L290 CarbonylContact C-O 3.58Å; F239-L290 VanDerWaalsContact CA-O 3.24Å; F239-L290 WeakPolarHBondContact CA-O 3.49Å; I240-L290 HydrophobicContact CG1-CB 4.07Å; I240-L290 PolarHBondContact N-O 3.43Å; I240-L290 PolarHBondContact O-N 2.73Å; V242-L290 HydrophobicContact CG2-CD1 3.89Å; K288-L290 HydrophobicContact CG-CD2 3.61Å; K288-L290 HydrophobicContact CG-CG 4.27Å; L290-I292 HydrophobicContact CB-CG2 4.15Å; L290-V301 HydrophobicContact CD1-CG1 3.82Å; L290-L305 HydrophobicContact CD1-CD1 4.28Å; L290-L305 HydrophobicContact CD1-CD2 4.02Å; L290-L305 HydrophobicContact CD1-CG 4.13Å; L290-L305 HydrophobicContact CD2-CD2 4.12Å; L290-L305 HydrophobicContact CG-CD2 4.47Å |
| 291 | H | 91.3 | Very high | 83.7 | Confident | 108 Ų | 108 | 58.2 Ų | 58.2 | 50% | 0.5 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 127.4 | 166.3 | -177.4 | -119 | 0 | 0 | 0 | 108.2 | T237 G238 F239 | T237-H291 WeakPolarHBondContact CB-NE2 3.3Å; T237-H291 PolarHBondContact OG1-NE2 3.49Å; G238-H291 WeakPolarHBondContact O-CA 3.29Å; G238-H291 PolarHBondContact O-CD2 3.07Å; F239-H291 HydrophobicContact CD1-CB 3.94Å; F239-H291 HydrophobicContact CE1-CB 3.7Å; F239-H291 AromaticContact CE1-CD2 3.99Å; F239-H291 AromaticContact CE2-CD2 3.96Å; F239-H291 HydrophobicContact CZ-CB 4.34Å; F239-H291 AromaticContact CZ-CD2 3.83Å |
| 292 | I | 94 | Very high | 84.8 | Confident | 17 Ų | 17 | 54 Ų | 54 | 9% | 0.087 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 163.1 | -172.5 | 65.1 | -157.7 | 0 | 0 | 0 | 110.9 | T237 G238 I240 L290 T296 F342 | T237-I292 CarbonylContact C-O 3.45Å; T237-I292 WeakPolarHBondContact CA-O 3.08Å; T237-I292 WeakPolarHBondContact CB-O 3.33Å; G238-I292 PolarHBondContact N-O 3.44Å; G238-I292 PolarHBondContact O-N 3.26Å; I240-I292 HydrophobicContact CB-CD1 4.1Å; I240-I292 HydrophobicContact CD1-CD1 3.32Å; I240-I292 HydrophobicContact CG1-CD1 3.53Å; I240-I292 HydrophobicContact CG2-CD1 3.55Å; L290-I292 HydrophobicContact CB-CG2 4.15Å; I292-T296 HydrophobicContact CB-CG2 4.15Å; I292-T296 HydrophobicContact CG2-CG2 4.07Å; I292-F342 HydrophobicContact CB-CE1 4.39Å; I292-F342 HydrophobicContact CD1-CD1 3.22Å; I292-F342 HydrophobicContact CD1-CE1 3.07Å; I292-F342 HydrophobicContact CD1-CG 4.21Å; I292-F342 HydrophobicContact CD1-CZ 4.09Å; I292-F342 HydrophobicContact CG1-CD1 3.89Å; I292-F342 HydrophobicContact CG1-CE1 3.53Å; I292-F342 HydrophobicContact CG1-CZ 4.09Å |
| 293 | S | 93.1 | Very high | 85.8 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 165 | 177.3 | 67.9 | 0 | 0 | 0 | 0 | 112.2 | Y236 T295 T296 F342 | Y236-S293 CarbonylContact O-C 3.14Å; Y236-S293 VanDerWaalsContact O-CA 3.3Å; Y236-S293 WeakPolarHBondContact O-CA 3.21Å; S293-T295 PolarHBondContact O-N 2.93Å; S293-T295 PolarHBondContact OG-N 2.89Å; S293-T295 PolarHBondContact OG-OG1 2.94Å; S293-T296 PolarHBondContact N-OG1 3.31Å; S293-T296 WeakPolarHBondContact O-CB 3.27Å; S293-T296 PolarHBondContact O-N 3.31Å; S293-T296 PolarHBondContact O-OG1 3.29Å; S293-T296 PolarHBondContact OG-N 3.31Å; S293-T296 PolarHBondContact OG-OG1 3.07Å; S293-F342 VanDerWaalsContact O-CE2 3.29Å; S293-F342 WeakPolarHBondContact O-CE2 3.31Å; S293-F342 WeakPolarHBondContact O-CZ 3.46Å |
| 294 | S | 89.4 | Confident | 87.1 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 16% | 0.161 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -19.3 | 173 | 60.4 | 0 | 0 | 0 | 0 | 113.8 | T235 Y236 T339 | T235-S294 WeakPolarHBondContact CA-OG 3.49Å; T235-S294 WeakPolarHBondContact CB-OG 3.37Å; Y236-S294 VanDerWaalsContact CZ-CB 3.46Å; Y236-S294 PolarHBondContact N-OG 2.94Å; Y236-S294 PolarHBondContact O-N 3.14Å; S294-T339 WeakPolarHBondContact O-CG2 3.17Å |
| 295 | T | 89.9 | Confident | 88.8 | Confident | 88 Ų | 88 | 50.1 Ų | 50.1 | 54% | 0.54 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -7.8 | -179.8 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | T235 S293 T297 | T235-T295 HydrophobicContact CG2-CG2 4.23Å; S293-T295 PolarHBondContact O-N 2.93Å; S293-T295 PolarHBondContact OG-N 2.89Å; S293-T295 PolarHBondContact OG-OG1 2.94Å; T295-T297 PolarHBondContact O-N 3.48Å |
| 296 | T | 92.1 | Very high | 90 | Very high | 21 Ų | 21 | 46.8 Ų | 46.8 | 13% | 0.129 | 26% | 0.258 | C | S | . | . | trans | -67.4 | 126.8 | -178.5 | -53.4 | 0 | 0 | 0 | 0 | 110.6 | I292 S293 E300 V301 V340 | I292-T296 HydrophobicContact CB-CG2 4.15Å; I292-T296 HydrophobicContact CG2-CG2 4.07Å; S293-T296 PolarHBondContact N-OG1 3.31Å; S293-T296 WeakPolarHBondContact O-CB 3.27Å; S293-T296 PolarHBondContact O-N 3.31Å; S293-T296 PolarHBondContact O-OG1 3.29Å; S293-T296 PolarHBondContact OG-N 3.31Å; S293-T296 PolarHBondContact OG-OG1 3.07Å; T296-E300 WeakPolarHBondContact CA-OE2 3.39Å; T296-E300 HydrophobicContact CG2-CB 4.21Å; T296-V301 HydrophobicContact CG2-CG2 3.84Å; T296-V340 PolarHBondContact O-N 3.27Å | ||
| 297 | T | 91.4 | Very high | 90.3 | Very high | 44 Ų | 44 | 53.4 Ų | 53.4 | 27% | 0.27 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -89.9 | 159.7 | -177.3 | 65.4 | 0 | 0 | 0 | 0 | 112.7 | T295 S299 E300 V301 | T295-T297 PolarHBondContact O-N 3.48Å; T297-S299 PolarHBondContact O-N 3.23Å; T297-E300 PolarHBondContact N-OE2 3.43Å; T297-E300 PolarHBondContact O-N 3.47Å; T297-E300 VanDerWaalsContact OG1-CG 3.26Å; T297-E300 WeakPolarHBondContact OG1-CG 2.78Å; T297-E300 PolarHBondContact OG1-N 3.48Å; T297-E300 PolarHBondContact OG1-OE2 3.29Å; T297-V301 WeakPolarHBondContact O-CG2 3.11Å; T297-V301 PolarHBondContact O-N 3.08Å; T297-V301 VanDerWaalsContact O-N 3.11Å |
| 298 | V | 89.9 | Confident | 90.3 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.2 | -40.6 | 174.3 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | V301 I302 L320 E335 Q338 V340 | V298-V301 PolarHBondContact O-N 3.34Å; V298-I302 HydrophobicContact CG1-CD1 3.74Å; V298-I302 HydrophobicContact CG1-CG1 4.35Å; V298-I302 WeakPolarHBondContact O-CG1 3.46Å; V298-I302 PolarHBondContact O-N 3.13Å; V298-L320 HydrophobicContact CG1-CB 3.78Å; V298-E335 HydrophobicContact CG2-CB 3.89Å; V298-Q338 WeakPolarHBondContact CG2-O 3.36Å; V298-Q338 PolarHBondContact N-O 3.31Å; V298-Q338 VanDerWaalsContact N-O 3.11Å; V298-V340 HydrophobicContact CB-CG2 4.19Å; V298-V340 HydrophobicContact CG2-CB 4.43Å; V298-V340 HydrophobicContact CG2-CG2 3.57Å |
| 299 | S | 90.1 | Very high | 89.9 | Confident | 37 Ų | 37 | 54.8 Ų | 54.8 | 26% | 0.259 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 179.1 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | T297 V301 I302 Q303 | T297-S299 PolarHBondContact O-N 3.23Å; S299-V301 VanDerWaalsContact C-N 3.33Å; S299-V301 PolarHBondContact O-N 2.83Å; S299-I302 PolarHBondContact O-N 3.44Å; S299-Q303 WeakPolarHBondContact O-CB 3.47Å; S299-Q303 VanDerWaalsContact O-CG 3.26Å; S299-Q303 WeakPolarHBondContact O-CG 3.08Å; S299-Q303 PolarHBondContact O-N 3.16Å; S299-Q303 PolarHBondContact OG-NE2 3.34Å |
| 300 | E | 91.5 | Very high | 89.5 | Confident | 102 Ų | 102 | 54.3 Ų | 54.3 | 48% | 0.477 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 177.4 | -72.9 | 165.2 | 158 | 0 | 0 | 111.8 | T296 T297 G304 | T296-E300 WeakPolarHBondContact CA-OE2 3.39Å; T296-E300 HydrophobicContact CG2-CB 4.21Å; T297-E300 PolarHBondContact N-OE2 3.43Å; T297-E300 PolarHBondContact O-N 3.47Å; T297-E300 VanDerWaalsContact OG1-CG 3.26Å; T297-E300 WeakPolarHBondContact OG1-CG 2.78Å; T297-E300 PolarHBondContact OG1-N 3.48Å; T297-E300 PolarHBondContact OG1-OE2 3.29Å; E300-G304 PolarHBondContact O-N 3.32Å |
| 301 | V | 92.6 | Very high | 89.2 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 175.5 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | V242 L290 T296 T297 V298 S299 L305 L320 V340 | V242-V301 HydrophobicContact CG2-CG1 4.38Å; L290-V301 HydrophobicContact CD1-CG1 3.82Å; T296-V301 HydrophobicContact CG2-CG2 3.84Å; T297-V301 WeakPolarHBondContact O-CG2 3.11Å; T297-V301 PolarHBondContact O-N 3.08Å; T297-V301 VanDerWaalsContact O-N 3.11Å; V298-V301 PolarHBondContact O-N 3.34Å; S299-V301 VanDerWaalsContact C-N 3.33Å; S299-V301 PolarHBondContact O-N 2.83Å; V301-L305 HydrophobicContact CG1-CD1 3.92Å; V301-L305 WeakPolarHBondContact O-CB 3.36Å; V301-L305 VanDerWaalsContact O-CG 3.24Å; V301-L305 WeakPolarHBondContact O-CG 3.44Å; V301-L305 PolarHBondContact O-N 2.77Å; V301-L320 HydrophobicContact CG1-CD2 4.32Å; V301-V340 HydrophobicContact CG2-CG2 4.03Å |
| 302 | I | 91 | Very high | 88.9 | Confident | 18 Ų | 18 | 50.6 Ų | 50.6 | 9% | 0.092 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -52.6 | 178.4 | -69.1 | 170.5 | 0 | 0 | 0 | 110 | V298 S299 G304 L305 L306 P315 F318 | V298-I302 HydrophobicContact CG1-CD1 3.74Å; V298-I302 HydrophobicContact CG1-CG1 4.35Å; V298-I302 WeakPolarHBondContact O-CG1 3.46Å; V298-I302 PolarHBondContact O-N 3.13Å; S299-I302 PolarHBondContact O-N 3.44Å; I302-G304 VanDerWaalsContact C-N 3.34Å; I302-G304 PolarHBondContact O-N 2.77Å; I302-L305 PolarHBondContact O-N 3.3Å; I302-L306 HydrophobicContact CG2-CD1 3.83Å; I302-L306 HydrophobicContact CG2-CG 4.28Å; I302-L306 VanDerWaalsContact O-CG 3.3Å; I302-L306 WeakPolarHBondContact O-CG 3.32Å; I302-L306 PolarHBondContact O-N 2.67Å; I302-P315 HydrophobicContact CG2-CB 4.04Å; I302-F318 HydrophobicContact CG2-CB 3.8Å; I302-F318 HydrophobicContact CG2-CG 4.44Å |
| 303 | Q | 89.9 | Confident | 88.5 | Confident | 98 Ų | 98 | 50.6 Ų | 50.6 | 46% | 0.458 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | -179.6 | -71.9 | 175.4 | -0.7 | 0 | 0 | 112 | S299 L305 L306 K307 P315 | S299-Q303 WeakPolarHBondContact O-CB 3.47Å; S299-Q303 VanDerWaalsContact O-CG 3.26Å; S299-Q303 WeakPolarHBondContact O-CG 3.08Å; S299-Q303 PolarHBondContact O-N 3.16Å; S299-Q303 PolarHBondContact OG-NE2 3.34Å; Q303-L305 VanDerWaalsContact C-N 3.35Å; Q303-L305 PolarHBondContact O-N 3.36Å; Q303-L306 PolarHBondContact O-N 2.93Å; Q303-K307 WeakPolarHBondContact O-CB 3.39Å; Q303-K307 PolarHBondContact O-N 3.43Å; Q303-P315 HydrophobicContact CG-CB 4.12Å; Q303-P315 HydrophobicContact CG-CG 4.38Å |
| 304 | G | 90.2 | Very high | 88 | Confident | 41 Ų | 41 | 50.2 Ų | 50.2 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E300 I302 K308 | E300-G304 PolarHBondContact O-N 3.32Å; I302-G304 VanDerWaalsContact C-N 3.34Å; I302-G304 PolarHBondContact O-N 2.77Å; G304-K308 VanDerWaalsContact O-CB 3.29Å; G304-K308 WeakPolarHBondContact O-CB 3.4Å; G304-K308 PolarHBondContact O-N 3.26Å |
| 305 | L | 90.3 | Very high | 87.8 | Confident | 15 Ų | 15 | 51.2 Ų | 51.2 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.9 | -48.2 | 175.3 | -73.9 | 171.7 | 0 | 0 | 0 | 111.8 | V242 L244 K288 L290 V301 I302 Q303 K307 K308 F309 | V242-L305 HydrophobicContact CB-CD1 4.18Å; V242-L305 HydrophobicContact CG1-CD1 3.73Å; V242-L305 HydrophobicContact CG2-CD1 4.37Å; L244-L305 HydrophobicContact CD1-CD2 4.32Å; K288-L305 HydrophobicContact CB-CD2 3.95Å; K288-L305 HydrophobicContact CG-CD2 3.98Å; L290-L305 HydrophobicContact CD1-CD1 4.28Å; L290-L305 HydrophobicContact CD1-CD2 4.02Å; L290-L305 HydrophobicContact CD1-CG 4.13Å; L290-L305 HydrophobicContact CD2-CD2 4.12Å; L290-L305 HydrophobicContact CG-CD2 4.47Å; V301-L305 HydrophobicContact CG1-CD1 3.92Å; V301-L305 WeakPolarHBondContact O-CB 3.36Å; V301-L305 VanDerWaalsContact O-CG 3.24Å; V301-L305 WeakPolarHBondContact O-CG 3.44Å; V301-L305 PolarHBondContact O-N 2.77Å; I302-L305 PolarHBondContact O-N 3.3Å; Q303-L305 VanDerWaalsContact C-N 3.35Å; Q303-L305 PolarHBondContact O-N 3.36Å; L305-K307 VanDerWaalsContact C-N 3.35Å; L305-K307 PolarHBondContact O-N 3.28Å; L305-K308 WeakPolarHBondContact O-CB 3.19Å; L305-K308 PolarHBondContact O-N 3.39Å; L305-K308 VanDerWaalsContact O-N 3.15Å; L305-F309 HydrophobicContact CD2-CE2 4.32Å; L305-F309 VanDerWaalsContact O-CD2 3.22Å; L305-F309 WeakPolarHBondContact O-CD2 3.46Å; L305-F309 PolarHBondContact O-N 2.98Å |
| 306 | L | 87.5 | Confident | 87.6 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.094 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 179 | -63.8 | 175.6 | 0 | 0 | 0 | 111.3 | I302 Q303 K308 F309 M310 V311 P315 F318 | I302-L306 HydrophobicContact CG2-CD1 3.83Å; I302-L306 HydrophobicContact CG2-CG 4.28Å; I302-L306 VanDerWaalsContact O-CG 3.3Å; I302-L306 WeakPolarHBondContact O-CG 3.32Å; I302-L306 PolarHBondContact O-N 2.67Å; Q303-L306 PolarHBondContact O-N 2.93Å; L306-K308 VanDerWaalsContact C-N 3.33Å; L306-K308 PolarHBondContact O-N 3.08Å; L306-F309 CarbonylContact O-C 3.59Å; L306-F309 PolarHBondContact O-N 3.11Å; L306-M310 PolarHBondContact O-N 3Å; L306-V311 HydrophobicContact CB-CB 4.21Å; L306-V311 HydrophobicContact CD2-CB 3.82Å; L306-V311 HydrophobicContact CD2-CG1 3.71Å; L306-V311 HydrophobicContact CD2-CG2 4.43Å; L306-V311 PolarHBondContact O-N 3.43Å; L306-P315 HydrophobicContact CD1-CB 4.01Å; L306-F318 HydrophobicContact CD1-CD2 3.59Å; L306-F318 HydrophobicContact CD1-CE2 3.65Å; L306-F318 HydrophobicContact CD1-CG 4.32Å; L306-F318 HydrophobicContact CD1-CZ 4.44Å; L306-F318 HydrophobicContact CD2-CD1 4.08Å; L306-F318 HydrophobicContact CD2-CD2 3.92Å; L306-F318 HydrophobicContact CD2-CE1 3.74Å; L306-F318 HydrophobicContact CD2-CE2 3.56Å; L306-F318 HydrophobicContact CD2-CG 4.16Å; L306-F318 HydrophobicContact CD2-CZ 3.47Å; L306-F318 VanDerWaalsContact CD2-CZ 3.47Å; L306-F318 HydrophobicContact CG-CD2 4.34Å; L306-F318 HydrophobicContact CG-CE2 4.26Å |
| 307 | K | 86.3 | Confident | 87.3 | Confident | 162 Ų | 162 | 56.7 Ų | 56.7 | 70% | 0.704 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59 | -43.7 | 174.6 | -173.6 | 177.1 | -178.5 | -179.9 | 0 | 111.6 | Q303 L305 F309 M310 | Q303-K307 WeakPolarHBondContact O-CB 3.39Å; Q303-K307 PolarHBondContact O-N 3.43Å; L305-K307 VanDerWaalsContact C-N 3.35Å; L305-K307 PolarHBondContact O-N 3.28Å; K307-F309 VanDerWaalsContact C-N 3.27Å; K307-F309 PolarHBondContact O-N 3.18Å; K307-M310 PolarHBondContact O-N 3.45Å; K307-M310 VanDerWaalsContact O-N 3.14Å |
| 308 | K | 85 | Confident | 87.1 | Confident | 142 Ų | 142 | 56.7 Ų | 56.7 | 62% | 0.617 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.5 | -34.6 | -179.8 | -176.9 | 60.2 | 177.6 | -178.5 | 0 | 112.8 | G304 L305 L306 | G304-K308 VanDerWaalsContact O-CB 3.29Å; G304-K308 WeakPolarHBondContact O-CB 3.4Å; G304-K308 PolarHBondContact O-N 3.26Å; L305-K308 WeakPolarHBondContact O-CB 3.19Å; L305-K308 PolarHBondContact O-N 3.39Å; L305-K308 VanDerWaalsContact O-N 3.15Å; L306-K308 VanDerWaalsContact C-N 3.33Å; L306-K308 PolarHBondContact O-N 3.08Å |
| 309 | F | 81.4 | Confident | 87.1 | Confident | 58 Ų | 58 | 59.2 Ų | 59.2 | 25% | 0.254 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 9.6 | 178.2 | -69.1 | -74.6 | 0 | 0 | 0 | 113.4 | L244 L282 A286 L305 L306 K307 V311 | L244-F309 HydrophobicContact CD1-CE2 4.32Å; L244-F309 HydrophobicContact CD2-CD2 3.62Å; L244-F309 HydrophobicContact CD2-CE2 3.4Å; L244-F309 VanDerWaalsContact CD2-CE2 3.4Å; L244-F309 HydrophobicContact CD2-CZ 4.15Å; L282-F309 HydrophobicContact CD1-CB 4.29Å; L282-F309 HydrophobicContact CD1-CD1 3.94Å; L282-F309 HydrophobicContact CD1-CG 4.22Å; A286-F309 HydrophobicContact CB-CZ 4.47Å; L305-F309 HydrophobicContact CD2-CE2 4.32Å; L305-F309 VanDerWaalsContact O-CD2 3.22Å; L305-F309 WeakPolarHBondContact O-CD2 3.46Å; L305-F309 PolarHBondContact O-N 2.98Å; L306-F309 CarbonylContact O-C 3.59Å; L306-F309 PolarHBondContact O-N 3.11Å; K307-F309 VanDerWaalsContact C-N 3.27Å; K307-F309 PolarHBondContact O-N 3.18Å; F309-V311 HydrophobicContact CB-CG2 4.02Å; F309-V311 PolarHBondContact O-N 3.18Å |
| 310 | M | 81.4 | Confident | 87.2 | Confident | 74 Ų | 74 | 58.8 Ų | 58.8 | 37% | 0.365 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 28.4 | -178 | -54.8 | -173.6 | 67.9 | 0 | 0 | 113.9 | V252 P253 I256 L270 L306 K307 | V252-M310 WeakPolarHBondContact CG1-O 3.47Å; P253-M310 WeakPolarHBondContact CD-O 3.34Å; I256-M310 HydrophobicContact CD1-CE 3.32Å; L270-M310 HydrophobicContact CB-CE 4.15Å; L306-M310 PolarHBondContact O-N 3Å; K307-M310 PolarHBondContact O-N 3.45Å; K307-M310 VanDerWaalsContact O-N 3.14Å |
| 311 | V | 84.9 | Confident | 86.9 | Confident | 11 Ų | 11 | 58.7 Ų | 58.7 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | trans | -79.5 | 124.2 | 176 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | V250 T251 L306 F309 D313 F318 | V250-V311 HydrophobicContact CB-CG1 3.88Å; V250-V311 HydrophobicContact CB-CG2 3.92Å; V250-V311 HydrophobicContact CG1-CG1 4.04Å; V250-V311 HydrophobicContact CG1-CG2 4.19Å; V250-V311 HydrophobicContact CG2-CG2 3.97Å; T251-V311 WeakPolarHBondContact O-CA 3.43Å; L306-V311 HydrophobicContact CB-CB 4.21Å; L306-V311 HydrophobicContact CD2-CB 3.82Å; L306-V311 HydrophobicContact CD2-CG1 3.71Å; L306-V311 HydrophobicContact CD2-CG2 4.43Å; L306-V311 PolarHBondContact O-N 3.43Å; F309-V311 HydrophobicContact CB-CG2 4.02Å; F309-V311 PolarHBondContact O-N 3.18Å; V311-D313 HydrophobicContact CG1-CB 3.89Å; V311-F318 HydrophobicContact CG1-CZ 4.04Å | ||
| 312 | V | 84.6 | Confident | 86.6 | Confident | 54 Ų | 54 | 61.5 Ų | 61.5 | 33% | 0.327 | 31% | 0.311 | S | S | . | . | trans | -99.3 | 2 | -177.2 | -61.6 | 0 | 0 | 0 | 0 | 113.6 | T251 P253 A271 | T251-V312 HydrophobicContact CG2-CG2 3.67Å; T251-V312 WeakPolarHBondContact O-CG2 3.37Å; T251-V312 PolarHBondContact O-N 2.75Å; P253-V312 HydrophobicContact CG-CG1 3.86Å; A271-V312 HydrophobicContact CB-CG1 3.65Å | ||
| 313 | D | 84.9 | Confident | 86.1 | Confident | 18 Ų | 18 | 67.2 Ų | 67.2 | 10% | 0.096 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -60 | 152.2 | 174 | -81.1 | -93 | 0 | 0 | 0 | 112.6 | T251 V311 K317 F318 | T251-D313 WeakPolarHBondContact CA-OD2 3.36Å; T251-D313 WeakPolarHBondContact CB-OD2 3.26Å; T251-D313 PolarHBondContact N-OD2 3.28Å; T251-D313 PolarHBondContact OG1-OD2 3.38Å; T251-D313 VanDerWaalsContact OG1-OD2 3.12Å; V311-D313 HydrophobicContact CG1-CB 3.89Å; D313-K317 HydrophobicContact CB-CD 4.45Å; D313-K317 IonicContact OD1-NZ 3.71Å; D313-K317 PolarHBondContact OD1-NZ 3.38Å; D313-F318 HydrophobicContact CB-CE2 3.59Å; D313-F318 HydrophobicContact CB-CZ 3.81Å |
| 314 | N | 83.4 | Confident | 85.7 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 11% | 0.112 | 32% | 0.324 | C | S | . | . | trans | -60 | 125.7 | 175.5 | 178.3 | -9.8 | 0 | 0 | 0 | 109.9 | W136 Q316 K317 F318 | W136-N314 VanDerWaalsContact CD2-ND2 3.26Å; W136-N314 PolarHBondContact NE1-ND2 3.44Å; N314-Q316 PolarHBondContact O-N 2.9Å; N314-Q316 WeakPolarHBondContact OD1-CB 3.26Å; N314-Q316 WeakPolarHBondContact OD1-CG 3.37Å; N314-Q316 PolarHBondContact OD1-N 3.19Å; N314-K317 HydrophobicContact CB-CG 4.26Å; N314-K317 WeakPolarHBondContact O-CB 3.5Å; N314-K317 PolarHBondContact O-N 2.95Å; N314-F318 WeakPolarHBondContact O-CD2 3.19Å | ||
| 315 | P | 86 | Confident | 84.2 | Confident | 44 Ų | 44 | 70.1 Ų | 70.1 | 29% | 0.286 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -55.6 | -26.7 | 178.6 | 22.3 | -34.5 | 0 | 0 | 0 | 113.6 | I302 Q303 L306 K317 F318 | I302-P315 HydrophobicContact CG2-CB 4.04Å; Q303-P315 HydrophobicContact CG-CB 4.12Å; Q303-P315 HydrophobicContact CG-CG 4.38Å; L306-P315 HydrophobicContact CD1-CB 4.01Å; P315-K317 PolarHBondContact O-N 3.22Å; P315-F318 PolarHBondContact O-N 2.65Å |
| 316 | Q | 84.5 | Confident | 82.2 | Confident | 151 Ų | 151 | 76.3 Ų | 76.3 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -67.7 | -14.1 | 176.9 | -64.1 | -176.5 | -26.9 | 0 | 0 | 114.1 | N314 F318 | N314-Q316 PolarHBondContact O-N 2.9Å; N314-Q316 WeakPolarHBondContact OD1-CB 3.26Å; N314-Q316 WeakPolarHBondContact OD1-CG 3.37Å; N314-Q316 PolarHBondContact OD1-N 3.19Å; Q316-F318 PolarHBondContact O-N 3.43Å |
| 317 | K | 86.3 | Confident | 80.2 | Confident | 73 Ų | 73 | 82.8 Ų | 82.8 | 32% | 0.317 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -76.1 | -11.1 | 171.5 | -60.5 | -176 | -168.8 | 179.2 | 0 | 112.7 | D138 D313 N314 P315 | D138-K317 WeakPolarHBondContact OD1-CE 3.48Å; D138-K317 IonicContact OD1-NZ 2.74Å; D138-K317 PolarHBondContact OD1-NZ 3.49Å; D313-K317 HydrophobicContact CB-CD 4.45Å; D313-K317 IonicContact OD1-NZ 3.71Å; D313-K317 PolarHBondContact OD1-NZ 3.38Å; N314-K317 HydrophobicContact CB-CG 4.26Å; N314-K317 WeakPolarHBondContact O-CB 3.5Å; N314-K317 PolarHBondContact O-N 2.95Å; P315-K317 PolarHBondContact O-N 3.22Å |
| 318 | F | 87.8 | Confident | 78.6 | Confident | 44 Ų | 44 | 79.5 Ų | 79.5 | 19% | 0.193 | 41% | 0.408 | C | S | . | . | trans | -110.3 | 152.9 | -176.4 | -57.2 | -92 | 0 | 0 | 0 | 110.6 | L246 V250 I302 L306 V311 D313 N314 P315 Q316 | L246-F318 HydrophobicContact CD1-CE1 3.99Å; L246-F318 HydrophobicContact CD2-CD1 3.75Å; L246-F318 HydrophobicContact CD2-CE1 3.72Å; V250-F318 HydrophobicContact CG1-CE1 4.48Å; V250-F318 HydrophobicContact CG1-CZ 4.46Å; I302-F318 HydrophobicContact CG2-CB 3.8Å; I302-F318 HydrophobicContact CG2-CG 4.44Å; L306-F318 HydrophobicContact CD1-CD2 3.59Å; L306-F318 HydrophobicContact CD1-CE2 3.65Å; L306-F318 HydrophobicContact CD1-CG 4.32Å; L306-F318 HydrophobicContact CD1-CZ 4.44Å; L306-F318 HydrophobicContact CD2-CD1 4.08Å; L306-F318 HydrophobicContact CD2-CD2 3.92Å; L306-F318 HydrophobicContact CD2-CE1 3.74Å; L306-F318 HydrophobicContact CD2-CE2 3.56Å; L306-F318 HydrophobicContact CD2-CG 4.16Å; L306-F318 HydrophobicContact CD2-CZ 3.47Å; L306-F318 VanDerWaalsContact CD2-CZ 3.47Å; L306-F318 HydrophobicContact CG-CD2 4.34Å; L306-F318 HydrophobicContact CG-CE2 4.26Å; V311-F318 HydrophobicContact CG1-CZ 4.04Å; D313-F318 HydrophobicContact CB-CE2 3.59Å; D313-F318 HydrophobicContact CB-CZ 3.81Å; N314-F318 WeakPolarHBondContact O-CD2 3.19Å; P315-F318 PolarHBondContact O-N 2.65Å; Q316-F318 PolarHBondContact O-N 3.43Å | ||
| 319 | A | 89.9 | Confident | 76.7 | Confident | 56 Ų | 56 | 79.5 Ų | 79.5 | 46% | 0.463 | 41% | 0.41 | S | S | . | . | trans | -142.3 | 143.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | F321 | A319-F321 HydrophobicContact CB-CD2 4.48Å; A319-F321 HydrophobicContact CB-CE2 3.73Å; A319-F321 HydrophobicContact CB-CZ 3.91Å | ||
| 320 | L | 90.8 | Very high | 75.1 | Confident | 28 Ų | 28 | 78.6 Ų | 78.6 | 15% | 0.147 | 42% | 0.417 | C | S | . | . | trans | -93.6 | 133.3 | 172.4 | -166.2 | 66.8 | 0 | 0 | 0 | 108.8 | V242 V298 V301 E335 V340 | V242-L320 HydrophobicContact CG1-CD1 3.77Å; V242-L320 HydrophobicContact CG2-CD1 4.46Å; V298-L320 HydrophobicContact CG1-CB 3.78Å; V301-L320 HydrophobicContact CG1-CD2 4.32Å; L320-E335 PolarHBondContact O-N 2.81Å; L320-V340 HydrophobicContact CD2-CG1 4.33Å; L320-V340 HydrophobicContact CD2-CG2 4.26Å | ||
| 321 | F | 86.6 | Confident | 73.9 | Confident | 100 Ų | 100 | 81.7 Ų | 81.7 | 44% | 0.439 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 130.2 | 179.2 | -63.1 | -92.2 | 0 | 0 | 0 | 110.1 | A319 K333 | A319-F321 HydrophobicContact CB-CD2 4.48Å; A319-F321 HydrophobicContact CB-CE2 3.73Å; A319-F321 HydrophobicContact CB-CZ 3.91Å; F321-K333 VanDerWaalsContact CA-O 3.28Å; F321-K333 WeakPolarHBondContact CA-O 3.31Å |
| 322 | K | 86.9 | Confident | 72.8 | Confident | 65 Ų | 65 | 86.5 Ų | 86.5 | 28% | 0.283 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 121.1 | 166.4 | -173.4 | 171.2 | -179.8 | 167.9 | 0 | 108.7 | I324 K333 E335 P341 | K322-I324 HydrophobicContact CG-CG1 4.26Å; K322-K333 PolarHBondContact N-O 3.33Å; K322-K333 PolarHBondContact O-N 3.01Å; K322-E335 HydrophobicContact CB-CG 4.28Å; K322-E335 WeakPolarHBondContact CB-OE1 3.07Å; K322-P341 PolarHBondContact NZ-O 3.05Å |
| 323 | R | 80.3 | Confident | 71.8 | Confident | 138 Ų | 138 | 89.6 Ų | 89.6 | 52% | 0.521 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 120.8 | 172.9 | -171 | 179.6 | -176.3 | -178.5 | -0.2 | 108.7 | H325 | R323-H325 PolarHBondContact NE-NE2 3.27Å |
| 324 | I | 80.3 | Confident | 70.9 | Confident | 62 Ų | 62 | 92.6 Ų | 92.6 | 32% | 0.318 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 119 | 175.1 | -52.6 | 173.2 | 0 | 0 | 0 | 106.8 | K322 K326 R331 | K322-I324 HydrophobicContact CG-CG1 4.26Å; I324-K326 HydrophobicContact CG2-CG 4.16Å; I324-K326 PolarHBondContact O-N 3.13Å; I324-R331 PolarHBondContact N-O 3.35Å; I324-R331 VanDerWaalsContact N-O 3.16Å; I324-R331 PolarHBondContact O-N 3.02Å |
| 325 | H | 58.6 | Low | 70 | Confident | 138 Ų | 138 | 93.3 Ų | 93.3 | 64% | 0.639 | 48% | 0.476 | S | S | * | . | trans | -81.1 | 105 | 169.5 | -84.1 | -94.7 | 0 | 0 | 0 | 107.8 | R323 | R323-H325 PolarHBondContact NE-NE2 3.27Š| ||
| 326 | K | 48.1 | Very low | 68.8 | Low | 146 Ų | 146 | 94.4 Ų | 94.4 | 64% | 0.635 | 48% | 0.483 | S | S | * | . | trans | -108.2 | 140.1 | 159.5 | -69.4 | -165.5 | 171.1 | -165.2 | 0 | 107 | I324 G328 Q329 | I324-K326 HydrophobicContact CG2-CG 4.16Å; I324-K326 PolarHBondContact O-N 3.13Å; K326-G328 PolarHBondContact O-N 3.36Å; K326-G328 VanDerWaalsContact O-N 3.14Å; K326-Q329 PolarHBondContact O-N 3.18Å; K326-Q329 VanDerWaalsContact O-N 3.12Å | ||
| 327 | D | 46.3 | Very low | 67.5 | Low | 153 Ų | 153 | 93.6 Ų | 93.6 | 82% | 0.818 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -22.9 | 102.2 | -173.2 | -50.8 | -55.9 | 0 | 0 | 0 | 114.7 | Q329 | D327-Q329 VanDerWaalsContact C-N 3.3Å; D327-Q329 PolarHBondContact O-N 3.13Å; D327-Q329 VanDerWaalsContact O-N 3.13Å |
| 328 | G | 51.9 | Low | 66.2 | Low | 94 Ų | 94 | 96 Ų | 96 | 97% | 0.969 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -19.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | K326 | K326-G328 PolarHBondContact O-N 3.36Å; K326-G328 VanDerWaalsContact O-N 3.14Å |
| 329 | Q | 45.1 | Very low | 64.7 | Low | 142 Ų | 142 | 97.4 Ų | 97.4 | 66% | 0.664 | 51% | 0.508 | S | S | * | . | trans | -133.5 | 99.8 | -179 | -156.5 | 166 | 60 | 0 | 0 | 112.3 | K326 D327 R331 | K326-Q329 PolarHBondContact O-N 3.18Å; K326-Q329 VanDerWaalsContact O-N 3.12Å; D327-Q329 VanDerWaalsContact C-N 3.3Å; D327-Q329 PolarHBondContact O-N 3.13Å; D327-Q329 VanDerWaalsContact O-N 3.13Å; Q329-R331 PolarHBondContact O-N 3.08Å; Q329-R331 VanDerWaalsContact O-N 3.12Å | ||
| 330 | G | 49.5 | Very low | 63.1 | Low | 39 Ų | 39 | 95.4 Ų | 95.4 | 40% | 0.402 | 49% | 0.49 | S | S | . | . | trans | -66.2 | 109.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 331 | R | 56 | Low | 61.4 | Low | 138 Ų | 138 | 96.6 Ų | 96.6 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 135.4 | 173.1 | -64.3 | -171.5 | -179.9 | -129.5 | 0.3 | 109.9 | I324 Q329 | I324-R331 PolarHBondContact N-O 3.35Å; I324-R331 VanDerWaalsContact N-O 3.16Å; I324-R331 PolarHBondContact O-N 3.02Å; Q329-R331 PolarHBondContact O-N 3.08Å; Q329-R331 VanDerWaalsContact O-N 3.12Å |
| 332 | R | 60.2 | Low | 60.2 | Low | 113 Ų | 113 | 93.2 Ų | 93.2 | 43% | 0.426 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 128.5 | 173.2 | -61.7 | -175.5 | -173.3 | -157.1 | 3.2 | 108.6 | ||
| 333 | K | 64.9 | Low | 58.3 | Low | 118 Ų | 118 | 93.3 Ų | 93.3 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 132.6 | 170.4 | -68.8 | -173.9 | 176.6 | -173.2 | 0 | 108.6 | F321 K322 | F321-K333 VanDerWaalsContact CA-O 3.28Å; F321-K333 WeakPolarHBondContact CA-O 3.31Å; K322-K333 PolarHBondContact N-O 3.33Å; K322-K333 PolarHBondContact O-N 3.01Å |
| 334 | S | 66.4 | Low | 56.4 | Low | 81 Ų | 81 | 88.7 Ų | 88.7 | 57% | 0.566 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 128.9 | 170.1 | 50.8 | 0 | 0 | 0 | 0 | 108.6 | ||
| 335 | E | 64.3 | Low | 54.4 | Low | 37 Ų | 37 | 90.6 Ų | 90.6 | 17% | 0.173 | 49% | 0.49 | C | S | . | . | trans | -84.1 | 122 | 172.7 | -62.3 | -62.2 | 147.8 | 0 | 0 | 108.3 | V298 L320 K322 P341 | V298-E335 HydrophobicContact CG2-CB 3.89Å; L320-E335 PolarHBondContact O-N 2.81Å; K322-E335 HydrophobicContact CB-CG 4.28Å; K322-E335 WeakPolarHBondContact CB-OE1 3.07Å; E335-P341 WeakPolarHBondContact OE2-CD 3.48Å; E335-P341 VanDerWaalsContact OE2-CG 3.26Å; E335-P341 WeakPolarHBondContact OE2-CG 3.37Å | ||
| 336 | P | 60.1 | Low | 53.1 | Low | 67 Ų | 67 | 88.9 Ų | 88.9 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | trans | -65 | 175.9 | 171.7 | 27.8 | -32.7 | 0 | 0 | 0 | 110.8 | Q338 | P336-Q338 HydrophobicContact CB-CG 4.48Å; P336-Q338 HydrophobicContact CG-CG 3.97Å; P336-Q338 PolarHBondContact O-N 3.35Å | ||
| 337 | N | 56.5 | Low | 52.2 | Low | 133 Ų | 133 | 89.5 Ų | 89.5 | 71% | 0.711 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -65.5 | 65.5 | 173.2 | -91.1 | -14.5 | 0 | 0 | 0 | 111.8 | ||
| 338 | Q | 60.9 | Low | 51.3 | Low | 123 Ų | 123 | 87.7 Ų | 87.7 | 58% | 0.575 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -120.6 | 170.8 | 175.7 | -68.1 | -178.7 | 14.8 | 0 | 0 | 108.8 | V298 P336 V340 | V298-Q338 WeakPolarHBondContact CG2-O 3.36Å; V298-Q338 PolarHBondContact N-O 3.31Å; V298-Q338 VanDerWaalsContact N-O 3.11Å; P336-Q338 HydrophobicContact CB-CG 4.48Å; P336-Q338 HydrophobicContact CG-CG 3.97Å; P336-Q338 PolarHBondContact O-N 3.35Å; Q338-V340 PolarHBondContact O-N 3.3Å |
| 339 | T | 55.4 | Low | 50 | Low | 75 Ų | 75 | 90 Ų | 90 | 46% | 0.46 | 49% | 0.489 | S | S | . | . | B | Isolated β-bridge | trans | -55.5 | 129.7 | 168.1 | -15.6 | 0 | 0 | 0 | 0 | 108.4 | S294 P341 | S294-T339 WeakPolarHBondContact O-CG2 3.17Å; T339-P341 VanDerWaalsContact O-CD 3.31Å; T339-P341 WeakPolarHBondContact O-CD 3.37Å |
| 340 | V | 55.4 | Low | 49.3 | Very low | 14 Ų | 14 | 94.6 Ų | 94.6 | 9% | 0.085 | 51% | 0.51 | C | S | . | . | trans | -63.8 | 124.6 | -175.1 | 173 | 0 | 0 | 0 | 0 | 107.8 | T296 V298 V301 L320 Q338 F342 | T296-V340 PolarHBondContact O-N 3.27Å; V298-V340 HydrophobicContact CB-CG2 4.19Å; V298-V340 HydrophobicContact CG2-CB 4.43Å; V298-V340 HydrophobicContact CG2-CG2 3.57Å; V301-V340 HydrophobicContact CG2-CG2 4.03Å; L320-V340 HydrophobicContact CD2-CG1 4.33Å; L320-V340 HydrophobicContact CD2-CG2 4.26Å; Q338-V340 PolarHBondContact O-N 3.3Å; V340-F342 VanDerWaalsContact C-N 3.33Å; V340-F342 HydrophobicContact CB-CD1 3.62Å; V340-F342 HydrophobicContact CB-CE1 3.21Å; V340-F342 HydrophobicContact CB-CZ 3.84Å; V340-F342 HydrophobicContact CG1-CD1 3.3Å; V340-F342 HydrophobicContact CG1-CE1 3.46Å; V340-F342 VanDerWaalsContact CG1-CE1 3.46Å; V340-F342 HydrophobicContact CG1-CG 4.32Å; V340-F342 HydrophobicContact CG1-CZ 4.45Å; V340-F342 HydrophobicContact CG2-CE1 4.14Å; V340-F342 WeakPolarHBondContact O-CD1 3.28Å; V340-F342 VanDerWaalsContact O-CD2 3.24Å; V340-F342 WeakPolarHBondContact O-CD2 3.37Å; V340-F342 WeakPolarHBondContact O-CE1 3.48Å; V340-F342 WeakPolarHBondContact O-CE2 3.29Å; V340-F342 WeakPolarHBondContact O-CG 3.32Å; V340-F342 WeakPolarHBondContact O-CZ 3.45Å; V340-F342 PolarHBondContact O-N 3.14Å | ||
| 341 | P | 54.8 | Low | 49.3 | Very low | 52 Ų | 52 | 97.4 Ų | 97.4 | 34% | 0.338 | 52% | 0.515 | S | S | . | . | trans | -78.9 | 84.9 | -176.3 | 28.9 | -33 | 0 | 0 | 0 | 110.6 | K322 E335 T339 | K322-P341 PolarHBondContact NZ-O 3.05Å; E335-P341 WeakPolarHBondContact OE2-CD 3.48Å; E335-P341 VanDerWaalsContact OE2-CG 3.26Å; E335-P341 WeakPolarHBondContact OE2-CG 3.37Å; T339-P341 VanDerWaalsContact O-CD 3.31Å; T339-P341 WeakPolarHBondContact O-CD 3.37Å | ||
| 342 | F | 62.9 | Low | 49 | Very low | 30 Ų | 30 | 95.3 Ų | 95.3 | 13% | 0.132 | 52% | 0.515 | C | S | . | . | trans | -105.1 | 48 | 170.1 | 32.5 | -120.1 | 0 | 0 | 0 | 110.9 | Y236 I240 I292 S293 V340 | Y236-F342 HydrophobicContact CE2-CD2 4.3Å; I240-F342 HydrophobicContact CG2-CB 4.04Å; I240-F342 HydrophobicContact CG2-CD1 4.01Å; I240-F342 HydrophobicContact CG2-CG 4.42Å; I292-F342 HydrophobicContact CB-CE1 4.39Å; I292-F342 HydrophobicContact CD1-CD1 3.22Å; I292-F342 HydrophobicContact CD1-CE1 3.07Å; I292-F342 HydrophobicContact CD1-CG 4.21Å; I292-F342 HydrophobicContact CD1-CZ 4.09Å; I292-F342 HydrophobicContact CG1-CD1 3.89Å; I292-F342 HydrophobicContact CG1-CE1 3.53Å; I292-F342 HydrophobicContact CG1-CZ 4.09Å; S293-F342 VanDerWaalsContact O-CE2 3.29Å; S293-F342 WeakPolarHBondContact O-CE2 3.31Å; S293-F342 WeakPolarHBondContact O-CZ 3.46Å; V340-F342 VanDerWaalsContact C-N 3.33Å; V340-F342 HydrophobicContact CB-CD1 3.62Å; V340-F342 HydrophobicContact CB-CE1 3.21Å; V340-F342 HydrophobicContact CB-CZ 3.84Å; V340-F342 HydrophobicContact CG1-CD1 3.3Å; V340-F342 HydrophobicContact CG1-CE1 3.46Å; V340-F342 VanDerWaalsContact CG1-CE1 3.46Å; V340-F342 HydrophobicContact CG1-CG 4.32Å; V340-F342 HydrophobicContact CG1-CZ 4.45Å; V340-F342 HydrophobicContact CG2-CE1 4.14Å; V340-F342 WeakPolarHBondContact O-CD1 3.28Å; V340-F342 VanDerWaalsContact O-CD2 3.24Å; V340-F342 WeakPolarHBondContact O-CD2 3.37Å; V340-F342 WeakPolarHBondContact O-CE1 3.48Å; V340-F342 WeakPolarHBondContact O-CE2 3.29Å; V340-F342 WeakPolarHBondContact O-CG 3.32Å; V340-F342 WeakPolarHBondContact O-CZ 3.45Å; V340-F342 PolarHBondContact O-N 3.14Å | ||
| 343 | L | 46.7 | Very low | 48.3 | Very low | 67 Ų | 67 | 94.3 Ų | 94.3 | 35% | 0.351 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -76 | 138.8 | 157.4 | -71.5 | 170.9 | 0 | 0 | 0 | 108.3 | Y236 V345 | Y236-L343 WeakPolarHBondContact OH-CD2 3.35Å; L343-V345 PolarHBondContact O-N 2.86Å |
| 344 | P | 40.3 | Very low | 47.4 | Very low | 41 Ų | 41 | 92.9 Ų | 92.9 | 27% | 0.266 | 52% | 0.52 | S | S | . | . | trans | -60.1 | 107.1 | 174.2 | 24.2 | -31.5 | 0 | 0 | 0 | 108.2 | K214 Y218 S346 | K214-P344 HydrophobicContact CB-CG 4Å; Y218-P344 HydrophobicContact CD2-CB 4.18Å; P344-S346 PolarHBondContact O-N 2.91Å | ||
| 345 | V | 39.2 | Very low | 46.2 | Very low | 101 Ų | 101 | 93.6 Ų | 93.6 | 61% | 0.612 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 116.3 | 169.6 | -175.5 | 0 | 0 | 0 | 0 | 105.6 | L343 K347 | L343-V345 PolarHBondContact O-N 2.86Å; V345-K347 PolarHBondContact O-N 3.25Å; V345-K347 VanDerWaalsContact O-N 3.1Å |
| 346 | S | 30.7 | Very low | 45 | Very low | 102 Ų | 102 | 97.4 Ų | 97.4 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 118.1 | 167.2 | 18 | 0 | 0 | 0 | 0 | 107.6 | P344 | P344-S346 PolarHBondContact O-N 2.91Š|
| 347 | K | 29.2 | Very low | 43.9 | Very low | 159 Ų | 159 | 99.6 Ų | 99.6 | 69% | 0.691 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 134.6 | 167.3 | -79.3 | -174.3 | 176.1 | -178.8 | 0 | 106.6 | V345 T349 | V345-K347 PolarHBondContact O-N 3.25Å; V345-K347 VanDerWaalsContact O-N 3.1Å; K347-T349 PolarHBondContact O-N 2.97Å |
| 348 | P | 26.6 | Very low | 42.9 | Very low | 116 Ų | 116 | 97 Ų | 97 | 75% | 0.753 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 126.1 | 165.3 | 24.1 | -29.6 | 0 | 0 | 0 | 107.2 | H350 | P348-H350 PolarHBondContact O-N 3.42Š|
| 349 | T | 25.9 | Very low | 41.4 | Very low | 142 Ų | 142 | 94.8 Ų | 94.8 | 87% | 0.871 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 122.4 | 167.5 | 39.6 | 0 | 0 | 0 | 0 | 107.6 | K347 | K347-T349 PolarHBondContact O-N 2.97Š|
| 350 | H | 29.9 | Very low | 40.1 | Very low | 239 Ų | 239 | 96.6 Ų | 96.6 | 100% | 1.106 | 54% | 0.538 | S | S | * | . | trans | -124 | 0 | 161.5 | -120.7 | -59.7 | 0 | 0 | 0 | 108.1 | P348 | P348-H350 PolarHBondContact O-N 3.42Š|
Retrieved 350 of 350 residues in 134.1 ms
(Link to these results)