| 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 | 38.6 | Very low | 33 | Very low | 246 Ų | 246 | 135.7 Ų | 135.7 | 100% | 1.212 | 85% | 0.849 | S | S | * | * | 0 | 156.4 | 0 | -76.4 | 173.4 | 164.9 | 0 | 0 | 108.6 | |||||
| 2 | A | 31.4 | Very low | 32.7 | Very low | 90 Ų | 90 | 143.5 Ų | 143.5 | 74% | 0.744 | 85% | 0.85 | S | S | * | * | trans | -9.4 | 134.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 3 | S | 30.4 | Very low | 32.6 | Very low | 117 Ų | 117 | 149 Ų | 149 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | 63.2 | 146.5 | 62.7 | -51.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 4 | T | 37.7 | Very low | 32.4 | Very low | 141 Ų | 141 | 154.8 Ų | 154.8 | 87% | 0.865 | 85% | 0.849 | S | S | * | * | cis | -126.6 | -171.9 | 8.4 | 54.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 5 | A | 36.4 | Very low | 32.2 | Very low | 88 Ų | 88 | 160.3 Ų | 160.3 | 73% | 0.727 | 85% | 0.852 | S | S | * | * | cis | -145.6 | -156.3 | 7.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 6 | R | 32.3 | Very low | 33.1 | Very low | 226 Ų | 226 | 157.4 Ų | 157.4 | 85% | 0.853 | 85% | 0.845 | S | S | * | * | cis | -147.3 | 160.8 | 3.4 | -156.9 | 172.7 | -172 | 167.5 | 2.1 | 110.1 | ||||
| 7 | E | 33.9 | Very low | 33.7 | Very low | 166 Ų | 166 | 154.6 Ų | 154.6 | 78% | 0.776 | 84% | 0.837 | S | S | * | * | trans | -66.6 | 178.2 | -173.1 | -45.6 | 117.2 | 91.8 | 0 | 0 | 114.8 | ||||
| 8 | S | 30 | Very low | 33.8 | Very low | 117 Ų | 117 | 158.2 Ų | 158.2 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | cis | -152.6 | 173.4 | 9.1 | 94.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 9 | A | 33.8 | Very low | 33.7 | Very low | 103 Ų | 103 | 159.3 Ų | 159.3 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | trans | -113.6 | 147.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 10 | G | 28.3 | Very low | 33.5 | Very low | 85 Ų | 85 | 155.3 Ų | 155.3 | 88% | 0.876 | 84% | 0.835 | S | S | * | * | trans | -148.9 | 122.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 11 | S | 29.8 | Very low | 33.6 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 80% | 0.797 | 83% | 0.834 | S | S | * | * | trans | -122.8 | 142.9 | -168.6 | 172.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 12 | R | 30.2 | Very low | 33.3 | Very low | 229 Ų | 229 | 148.9 Ų | 148.9 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -161.3 | 116.7 | 154.8 | -102.2 | 159.7 | -166.4 | -147.2 | 3.7 | 108.7 | ||||
| 13 | R | 31.2 | Very low | 33.6 | Very low | 215 Ų | 215 | 156.3 Ų | 156.3 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | 62.9 | 127 | 96.7 | -73.3 | -174.3 | -179.7 | -158.9 | -0.7 | 112.8 | |||||
| 14 | R | 29.4 | Very low | 33.9 | Very low | 230 Ų | 230 | 154.4 Ų | 154.4 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | cis | -155.4 | 166.1 | 23.9 | -101.3 | 163.3 | 175.1 | 179.4 | -2.4 | 111.6 | ||||
| 15 | R | 29.7 | Very low | 33.9 | Very low | 237 Ų | 237 | 155.9 Ų | 155.9 | 89% | 0.894 | 83% | 0.828 | S | S | * | * | trans | -91.1 | -167.2 | 164.2 | -64.6 | 179.4 | 170.3 | 176.2 | -3.6 | 110.7 | ||||
| 16 | P | 45.9 | Very low | 34.1 | Very low | 115 Ų | 115 | 159.9 Ų | 159.9 | 75% | 0.747 | 84% | 0.836 | S | S | * | * | -116.6 | -144.4 | -81.1 | 41.3 | -22.4 | 0 | 0 | 0 | 108.9 | |||||
| 17 | P | 43.1 | Very low | 34.5 | Very low | 109 Ų | 109 | 157 Ų | 157 | 71% | 0.708 | 84% | 0.837 | S | S | * | * | cis | -136.3 | 175.6 | -14 | 40.3 | -20.5 | 0 | 0 | 0 | 117.7 | ||||
| 18 | R | 35.5 | Very low | 34.7 | Very low | 219 Ų | 219 | 157 Ų | 157 | 83% | 0.826 | 84% | 0.841 | S | S | * | * | trans | 20 | 145.1 | 149.6 | -67.3 | -173 | 171.1 | 177.8 | -3 | 124.8 | ||||
| 19 | H | 32.2 | Very low | 34.9 | Very low | 179 Ų | 179 | 157.5 Ų | 157.5 | 83% | 0.829 | 84% | 0.843 | S | S | * | * | trans | 79.7 | 133.8 | 157.7 | -65.5 | -66.6 | 0 | 0 | 0 | 119.1 | ||||
| 20 | G | 30.7 | Very low | 35 | Very low | 79 Ų | 79 | 159.9 Ų | 159.9 | 81% | 0.814 | 84% | 0.841 | S | S | * | * | trans | 158.4 | 50 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 21 | A | 35.4 | Very low | 35.3 | Very low | 98 Ų | 98 | 167.8 Ų | 167.8 | 81% | 0.81 | 84% | 0.844 | S | S | * | * | trans | -87.6 | 110.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 22 | L | 32.4 | Very low | 35.3 | Very low | 170 Ų | 170 | 170.6 Ų | 170.6 | 89% | 0.89 | 85% | 0.85 | S | S | * | * | trans | -173.9 | 159.9 | 151.6 | -128.2 | 78.2 | 0 | 0 | 0 | 110.2 | ||||
| 23 | R | 36.4 | Very low | 35.8 | Very low | 246 Ų | 246 | 165.7 Ų | 165.7 | 93% | 0.928 | 85% | 0.847 | S | S | * | * | trans | 71.6 | 91.7 | 176.6 | -63.2 | -179.6 | 160.8 | -175.3 | -6.3 | 116.6 | ||||
| 24 | G | 37.7 | Very low | 36.1 | Very low | 77 Ų | 77 | 161.8 Ų | 161.8 | 79% | 0.794 | 85% | 0.853 | S | S | * | * | trans | -171.8 | 37.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 25 | L | 38.3 | Very low | 36.2 | Very low | 172 Ų | 172 | 154.6 Ų | 154.6 | 90% | 0.901 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -160.2 | 47.8 | -179.8 | -118.7 | 156.2 | 0 | 0 | 0 | 114.1 | ||
| 26 | L | 39.5 | Very low | 36.4 | Very low | 171 Ų | 171 | 155.6 Ų | 155.6 | 90% | 0.895 | 85% | 0.854 | S | S | * | * | trans | -156.7 | 81.1 | 174.4 | -121.6 | 155.7 | 0 | 0 | 0 | 109.6 | ||||
| 27 | L | 41 | Very low | 36 | Very low | 166 Ų | 166 | 155.2 Ų | 155.2 | 87% | 0.869 | 86% | 0.86 | S | S | * | * | trans | -179.7 | 65.3 | 168.2 | -105.7 | 166.1 | 0 | 0 | 0 | 112 | ||||
| 28 | L | 37.7 | Very low | 35.5 | Very low | 165 Ų | 165 | 154.9 Ų | 154.9 | 86% | 0.864 | 87% | 0.867 | S | S | * | * | trans | -155.9 | 50.9 | 169.6 | -126.7 | 140.3 | 0 | 0 | 0 | 114.6 | ||||
| 29 | C | 34.9 | Very low | 35.6 | Very low | 128 Ų | 128 | 152.2 Ų | 152.2 | 87% | 0.865 | 87% | 0.868 | S | S | * | * | trans | -132.3 | 55.8 | 171.6 | -65.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 30 | L | 35.9 | Very low | 36 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 81% | 0.806 | 86% | 0.864 | S | S | * | * | trans | -148.5 | 66.4 | 176.4 | -79.5 | -178.7 | 0 | 0 | 0 | 112.9 | ||||
| 31 | W | 33.9 | Very low | 36.8 | Very low | 251 Ų | 251 | 151 Ų | 151 | 95% | 0.951 | 86% | 0.862 | S | S | * | * | trans | -147.4 | 88 | 162.1 | -77.8 | 95.5 | 0 | 0 | 0 | 111.2 | ||||
| 32 | L | 30.4 | Very low | 37.4 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 91% | 0.906 | 87% | 0.865 | S | S | * | * | trans | -143.8 | 117.3 | 164.1 | -88 | 173 | 0 | 0 | 0 | 108.2 | ||||
| 33 | P | 39.5 | Very low | 37.8 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 81% | 0.812 | 86% | 0.859 | S | S | * | * | trans | -93.2 | 137.4 | 170.2 | 33.7 | -29.5 | 0 | 0 | 0 | 111.4 | ||||
| 34 | S | 38 | Very low | 38.2 | Very low | 133 Ų | 133 | 141 Ų | 141 | 93% | 0.93 | 85% | 0.848 | S | S | * | * | trans | -81.6 | 133.1 | 170.8 | -62 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 35 | G | 32.1 | Very low | 38.8 | Very low | 79 Ų | 79 | 144.9 Ų | 144.9 | 81% | 0.814 | 85% | 0.849 | S | S | * | * | trans | -132.8 | 123.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 36 | R | 33.4 | Very low | 39.2 | Very low | 259 Ų | 259 | 140.2 Ų | 140.2 | 98% | 0.977 | 83% | 0.831 | S | S | * | * | trans | -85.2 | 154.2 | 179.1 | -107.2 | 178.2 | 172.7 | 167.4 | -3.6 | 111.5 | ||||
| 37 | A | 37 | Very low | 39.5 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | trans | -75.8 | 149.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 38 | A | 32.9 | Very low | 39.6 | Very low | 103 Ų | 103 | 137 Ų | 137 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -147.7 | 135 | 150.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 39 | L | 37.5 | Very low | 40.1 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -107.4 | 143.4 | 176 | -163.1 | 77.6 | 0 | 0 | 0 | 108.2 | ||||
| 40 | P | 42.2 | Very low | 40.9 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | -145.1 | -165.8 | 111.1 | 42.7 | -26.7 | 0 | 0 | 0 | 111.7 | |||||
| 41 | P | 45.8 | Very low | 41.5 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | -104.6 | 174.6 | -99.1 | 31.9 | -13.8 | 0 | 0 | 0 | 114.2 | |||||
| 42 | A | 48.9 | Very low | 42.4 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 88% | 0.876 | 76% | 0.764 | S | S | * | * | trans | -68.7 | 143.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 43 | A | 40.5 | Very low | 43.6 | Very low | 93 Ų | 93 | 121.1 Ų | 121.1 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | -104.5 | 151.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 44 | P | 44.7 | Very low | 44.7 | Very low | 105 Ų | 105 | 116.8 Ų | 116.8 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | trans | -83.9 | 162.9 | -164.2 | 32.7 | -36.4 | 0 | 0 | 0 | 115.6 | S46 | P44-S46 PolarHBondContact O-N 2.88Š| ||
| 45 | L | 50.4 | Low | 46.1 | Very low | 158 Ų | 158 | 114.5 Ų | 114.5 | 83% | 0.827 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 24.3 | -177 | -95.3 | 162.1 | 0 | 0 | 0 | 116.1 | ||
| 46 | S | 47.9 | Very low | 47.7 | Very low | 75 Ų | 75 | 117.6 Ų | 117.6 | 52% | 0.524 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | -32.2 | -179.8 | 46 | 0 | 0 | 0 | 0 | 114 | P44 L48 | P44-S46 PolarHBondContact O-N 2.88Å; S46-L48 PolarHBondContact O-N 2.91Å |
| 47 | E | 45.7 | Very low | 49.5 | Very low | 151 Ų | 151 | 111.8 Ų | 111.8 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -69.2 | -32 | -172.7 | -137.6 | 71.3 | -159.2 | 0 | 0 | 113.4 | H49 A50 | E47-H49 PolarHBondContact O-N 3.08Å; E47-A50 PolarHBondContact O-N 3.38Å |
| 48 | L | 42.4 | Very low | 51.1 | Low | 117 Ų | 117 | 112.7 Ų | 112.7 | 61% | 0.613 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -72.3 | -27.8 | -173.1 | -140.4 | 80.6 | 0 | 0 | 0 | 113.1 | S46 A50 | S46-L48 PolarHBondContact O-N 2.91Å; L48-A50 VanDerWaalsContact C-N 3.35Å |
| 49 | H | 47.9 | Very low | 52.9 | Low | 147 Ų | 147 | 112.5 Ų | 112.5 | 68% | 0.681 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.8 | -27.9 | 176.1 | -99.5 | 109.4 | 0 | 0 | 0 | 112.6 | E47 Q51 L52 S53 | E47-H49 PolarHBondContact O-N 3.08Å; H49-Q51 VanDerWaalsContact C-N 3.3Å; H49-Q51 PolarHBondContact O-N 2.63Å; H49-L52 PolarHBondContact O-N 3.23Å; H49-S53 PolarHBondContact O-N 3.41Å |
| 50 | A | 51.8 | Low | 54.7 | Low | 68 Ų | 68 | 109.9 Ų | 109.9 | 56% | 0.562 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.8 | -22.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E47 L48 S53 | E47-A50 PolarHBondContact O-N 3.38Å; L48-A50 VanDerWaalsContact C-N 3.35Å; A50-S53 PolarHBondContact O-OG 2.79Å |
| 51 | Q | 49.1 | Very low | 56.2 | Low | 152 Ų | 152 | 109.4 Ų | 109.4 | 71% | 0.71 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -89.7 | -23.6 | 175.3 | -66 | -153.5 | -58.3 | 0 | 0 | 113.8 | H49 | H49-Q51 VanDerWaalsContact C-N 3.3Å; H49-Q51 PolarHBondContact O-N 2.63Å |
| 52 | L | 51.4 | Low | 57.1 | Low | 108 Ų | 108 | 109.6 Ų | 109.6 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75.7 | -38.2 | 177.6 | -78.2 | 162.6 | 0 | 0 | 0 | 112.2 | H49 G54 V55 E56 | H49-L52 PolarHBondContact O-N 3.23Å; L52-G54 VanDerWaalsContact C-N 3.35Å; L52-G54 PolarHBondContact O-N 3.17Å; L52-V55 PolarHBondContact O-N 2.7Å; L52-E56 PolarHBondContact O-N 2.04Å |
| 53 | S | 56.8 | Low | 58.1 | Low | 64 Ų | 64 | 111.4 Ų | 111.4 | 45% | 0.448 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.9 | -37.8 | 177.2 | 57 | 0 | 0 | 0 | 0 | 113.3 | H49 A50 V55 E56 Q57 | H49-S53 PolarHBondContact O-N 3.41Å; A50-S53 PolarHBondContact O-OG 2.79Å; S53-V55 VanDerWaalsContact C-N 3.28Å; S53-V55 PolarHBondContact O-N 3.26Å; S53-E56 PolarHBondContact O-N 2.9Å; S53-Q57 WeakPolarHBondContact O-CB 3.4Å; S53-Q57 PolarHBondContact O-N 3.15Å |
| 54 | G | 62.2 | Low | 59.4 | Low | 33 Ų | 33 | 114.4 Ų | 114.4 | 34% | 0.34 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.6 | -27.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | L52 L58 | L52-G54 VanDerWaalsContact C-N 3.35Å; L52-G54 PolarHBondContact O-N 3.17Å; G54-L58 PolarHBondContact O-N 2.72Å |
| 55 | V | 66.5 | Low | 60.1 | Low | 86 Ų | 86 | 115 Ų | 115 | 52% | 0.521 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -80.1 | -39.2 | 177.7 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | L52 S53 Q57 L58 L59 | L52-V55 PolarHBondContact O-N 2.7Å; S53-V55 VanDerWaalsContact C-N 3.28Å; S53-V55 PolarHBondContact O-N 3.26Å; V55-Q57 VanDerWaalsContact C-N 3.33Å; V55-L58 PolarHBondContact O-N 3.25Å; V55-L59 HydrophobicContact CG1-CD1 4.24Å; V55-L59 WeakPolarHBondContact O-CB 3.24Å; V55-L59 PolarHBondContact O-N 3.02Å |
| 56 | E | 66.6 | Low | 60.2 | Low | 144 Ų | 144 | 112.6 Ų | 112.6 | 67% | 0.673 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.7 | -41.6 | 171.6 | -70.4 | -172.3 | 137.8 | 0 | 0 | 111.3 | L52 S53 L58 L59 E60 | L52-E56 PolarHBondContact O-N 2.04Å; S53-E56 PolarHBondContact O-N 2.9Å; E56-L58 VanDerWaalsContact C-N 3.33Å; E56-L58 PolarHBondContact O-N 3.13Å; E56-L59 PolarHBondContact O-N 3.14Å; E56-E60 WeakPolarHBondContact O-CB 3.5Å; E56-E60 PolarHBondContact O-N 3.35Å |
| 57 | Q | 71.7 | Confident | 60.5 | Low | 136 Ų | 136 | 117.1 Ų | 117.1 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.8 | -39.1 | 177.2 | -160.3 | 166.7 | 8.2 | 0 | 0 | 112.1 | S53 V55 E60 E61 | S53-Q57 WeakPolarHBondContact O-CB 3.4Å; S53-Q57 PolarHBondContact O-N 3.15Å; V55-Q57 VanDerWaalsContact C-N 3.33Å; Q57-E60 PolarHBondContact O-N 2.78Å; Q57-E61 WeakPolarHBondContact O-CB 3.09Å; Q57-E61 PolarHBondContact O-N 2.04Å |
| 58 | L | 70.6 | Confident | 60.6 | Low | 126 Ų | 126 | 116.6 Ų | 116.6 | 66% | 0.66 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.2 | -36.9 | 173.4 | -112.4 | 161.9 | 0 | 0 | 0 | 113.3 | G54 V55 E56 F62 | G54-L58 PolarHBondContact O-N 2.72Å; V55-L58 PolarHBondContact O-N 3.25Å; E56-L58 VanDerWaalsContact C-N 3.33Å; E56-L58 PolarHBondContact O-N 3.13Å; L58-F62 WeakPolarHBondContact O-CB 3.09Å; L58-F62 PolarHBondContact O-N 3.31Å |
| 59 | L | 70.7 | Confident | 60.5 | Low | 98 Ų | 98 | 118.5 Ų | 118.5 | 51% | 0.513 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.3 | -36.7 | 174.8 | -86.9 | 162.7 | 0 | 0 | 0 | 112.2 | V55 E56 F62 R63 | V55-L59 HydrophobicContact CG1-CD1 4.24Å; V55-L59 WeakPolarHBondContact O-CB 3.24Å; V55-L59 PolarHBondContact O-N 3.02Å; E56-L59 PolarHBondContact O-N 3.14Å; L59-F62 PolarHBondContact O-N 2.91Å; L59-R63 WeakPolarHBondContact O-CG 3.39Å; L59-R63 PolarHBondContact O-N 3.21Å |
| 60 | E | 74.9 | Confident | 59.9 | Low | 108 Ų | 108 | 122.2 Ų | 122.2 | 51% | 0.505 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -74.6 | -36.6 | 177.2 | -146.3 | 65.1 | -171.8 | 0 | 0 | 111.5 | E56 Q57 F62 R63 R64 | E56-E60 WeakPolarHBondContact O-CB 3.5Å; E56-E60 PolarHBondContact O-N 3.35Å; Q57-E60 PolarHBondContact O-N 2.78Å; E60-F62 VanDerWaalsContact C-N 3.33Å; E60-F62 PolarHBondContact O-N 3.03Å; E60-R63 PolarHBondContact O-N 3.01Å; E60-R63 IonicContact OE1-NH1 3.76Å; E60-R63 WeakPolarHBondContact OE2-CD 3.34Å; E60-R63 IonicContact OE2-CZ 3.15Å; E60-R63 IonicContact OE2-NH1 2.64Å; E60-R63 PolarHBondContact OE2-NH1 2.73Å; E60-R64 VanDerWaalsContact O-CB 3.24Å; E60-R64 WeakPolarHBondContact O-CB 3.04Å; E60-R64 PolarHBondContact O-N 3.01Å |
| 61 | E | 74.8 | Confident | 59.2 | Low | 104 Ų | 104 | 123 Ų | 123 | 49% | 0.486 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.8 | -41.3 | 168.9 | -157.6 | 87.5 | -125.1 | 0 | 0 | 111.1 | Q57 R64 Q65 | Q57-E61 WeakPolarHBondContact O-CB 3.09Å; Q57-E61 PolarHBondContact O-N 2.04Å; E61-R64 PolarHBondContact O-N 3.25Å; E61-Q65 WeakPolarHBondContact O-CG 3.07Å; E61-Q65 PolarHBondContact O-N 3.38Å |
| 62 | F | 64.1 | Low | 58.7 | Low | 122 Ų | 122 | 123.5 Ų | 123.5 | 54% | 0.535 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -71.8 | -38.3 | 177.7 | -161.5 | -97.9 | 0 | 0 | 0 | 112.9 | L58 L59 E60 R64 Q65 L66 | L58-F62 WeakPolarHBondContact O-CB 3.09Å; L58-F62 PolarHBondContact O-N 3.31Å; L59-F62 PolarHBondContact O-N 2.91Å; E60-F62 VanDerWaalsContact C-N 3.33Å; E60-F62 PolarHBondContact O-N 3.03Å; F62-R64 VanDerWaalsContact C-N 3.3Å; F62-R64 PolarHBondContact O-N 2.03Å; F62-Q65 PolarHBondContact O-N 3.1Å; F62-L66 HydrophobicContact CD1-CD1 3.96Å; F62-L66 HydrophobicContact CD1-CG 4.5Å; F62-L66 HydrophobicContact CE1-CD1 3.93Å; F62-L66 HydrophobicContact CE1-CG 4.39Å; F62-L66 WeakPolarHBondContact O-CG 3.47Å; F62-L66 PolarHBondContact O-N 2.8Å |
| 63 | R | 69 | Low | 58.3 | Low | 145 Ų | 145 | 125.1 Ų | 125.1 | 55% | 0.547 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.3 | -42.9 | 168.3 | -83.3 | 179.8 | 178.4 | 144.5 | -0.6 | 111.5 | L59 E60 L66 Q67 | L59-R63 WeakPolarHBondContact O-CG 3.39Å; L59-R63 PolarHBondContact O-N 3.21Å; E60-R63 PolarHBondContact O-N 3.01Å; E60-R63 IonicContact OE1-NH1 3.76Å; E60-R63 WeakPolarHBondContact OE2-CD 3.34Å; E60-R63 IonicContact OE2-CZ 3.15Å; E60-R63 IonicContact OE2-NH1 2.64Å; E60-R63 PolarHBondContact OE2-NH1 2.73Å; R63-L66 PolarHBondContact O-N 3.08Å; R63-Q67 WeakPolarHBondContact O-CG 3.41Å; R63-Q67 PolarHBondContact O-N 3.32Å |
| 64 | R | 67.9 | Low | 57.5 | Low | 155 Ų | 155 | 129.4 Ų | 129.4 | 59% | 0.585 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.8 | -35.1 | 178.6 | -172.5 | 178.3 | 170.4 | -174.8 | -2.2 | 112 | E60 E61 F62 Q67 Q68 | E60-R64 VanDerWaalsContact O-CB 3.24Å; E60-R64 WeakPolarHBondContact O-CB 3.04Å; E60-R64 PolarHBondContact O-N 3.01Å; E61-R64 PolarHBondContact O-N 3.25Å; F62-R64 VanDerWaalsContact C-N 3.3Å; F62-R64 PolarHBondContact O-N 2.03Å; R64-Q67 PolarHBondContact O-N 3.08Å; R64-Q68 VanDerWaalsContact O-CB 3.23Å; R64-Q68 WeakPolarHBondContact O-CB 3.38Å; R64-Q68 PolarHBondContact O-N 2.97Å; R64-Q68 VanDerWaalsContact O-N 3.09Å |
| 65 | Q | 60.1 | Low | 56.2 | Low | 119 Ų | 119 | 133.5 Ų | 133.5 | 56% | 0.556 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.5 | -44 | 169.8 | -76.5 | 178.9 | -18.4 | 0 | 0 | 111.9 | E61 F62 Q67 Q68 E69 | E61-Q65 WeakPolarHBondContact O-CG 3.07Å; E61-Q65 PolarHBondContact O-N 3.38Å; F62-Q65 PolarHBondContact O-N 3.1Å; Q65-Q67 VanDerWaalsContact C-N 3.3Å; Q65-Q67 PolarHBondContact O-N 2.02Å; Q65-Q68 PolarHBondContact O-N 2.97Å; Q65-E69 PolarHBondContact O-N 3.28Å |
| 66 | L | 52.3 | Low | 54.9 | Low | 107 Ų | 107 | 135 Ų | 135 | 56% | 0.56 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.4 | -30.9 | 174.6 | -73.7 | 167.2 | 0 | 0 | 0 | 113.3 | F62 R63 Q68 | F62-L66 HydrophobicContact CD1-CD1 3.96Å; F62-L66 HydrophobicContact CD1-CG 4.5Å; F62-L66 HydrophobicContact CE1-CD1 3.93Å; F62-L66 HydrophobicContact CE1-CG 4.39Å; F62-L66 WeakPolarHBondContact O-CG 3.47Å; F62-L66 PolarHBondContact O-N 2.8Å; R63-L66 PolarHBondContact O-N 3.08Å; L66-Q68 VanDerWaalsContact C-N 3.31Å |
| 67 | Q | 53.8 | Low | 53.5 | Low | 170 Ų | 170 | 133.4 Ų | 133.4 | 79% | 0.794 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -5.5 | 173.1 | -72.6 | -178.9 | -41.1 | 0 | 0 | 113.9 | R63 R64 Q65 | R63-Q67 WeakPolarHBondContact O-CG 3.41Å; R63-Q67 PolarHBondContact O-N 3.32Å; R64-Q67 PolarHBondContact O-N 3.08Å; Q65-Q67 VanDerWaalsContact C-N 3.3Å; Q65-Q67 PolarHBondContact O-N 2.02Å |
| 68 | Q | 47.9 | Very low | 51.7 | Low | 140 Ų | 140 | 134.3 Ų | 134.3 | 65% | 0.654 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | 0.3 | -178 | -162.9 | 162.7 | -7.3 | 0 | 0 | 113.2 | R64 Q65 L66 R70 | R64-Q68 VanDerWaalsContact O-CB 3.23Å; R64-Q68 WeakPolarHBondContact O-CB 3.38Å; R64-Q68 PolarHBondContact O-N 2.97Å; R64-Q68 VanDerWaalsContact O-N 3.09Å; Q65-Q68 PolarHBondContact O-N 2.97Å; L66-Q68 VanDerWaalsContact C-N 3.31Å; Q68-R70 PolarHBondContact O-N 2.94Å |
| 69 | E | 39.8 | Very low | 50.1 | Low | 156 Ų | 156 | 135.2 Ų | 135.2 | 73% | 0.729 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -65.2 | 109.8 | 149.7 | -76.7 | -165.8 | 126.6 | 0 | 0 | 108.3 | Q65 | Q65-E69 PolarHBondContact O-N 3.28Š|
| 70 | R | 35.6 | Very low | 48.5 | Very low | 226 Ų | 226 | 140.6 Ų | 140.6 | 85% | 0.853 | 64% | 0.644 | S | S | * | * | trans | -55.9 | 153.4 | 173.8 | -65.3 | 178.3 | -175.8 | 162.6 | 0.3 | 110 | Q68 Q72 | Q68-R70 PolarHBondContact O-N 2.94Å; R70-Q72 PolarHBondContact O-N 3.15Å | ||
| 71 | P | 38.1 | Very low | 46.6 | Very low | 84 Ų | 84 | 140 Ų | 140 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | trans | -55.5 | 115.3 | 169.7 | -18.5 | 30.2 | 0 | 0 | 0 | 109.4 | E73 E74 | P71-E73 HydrophobicContact CB-CB 4.38Å; P71-E73 PolarHBondContact O-N 2.81Å; P71-E73 VanDerWaalsContact O-N 3.07Å; P71-E74 PolarHBondContact O-N 3.41Å | ||
| 72 | Q | 38.4 | Very low | 44.3 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 76% | 0.757 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 8.7 | 168.8 | -147.4 | -175.2 | -89.9 | 0 | 0 | 111.7 | R70 | R70-Q72 PolarHBondContact O-N 3.15Š|
| 73 | E | 43.1 | Very low | 43 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 67% | 0.668 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -29.5 | 174.1 | -68.1 | 176.8 | 105.3 | 0 | 0 | 112.6 | P71 L75 E76 L77 | P71-E73 HydrophobicContact CB-CB 4.38Å; P71-E73 PolarHBondContact O-N 2.81Å; P71-E73 VanDerWaalsContact O-N 3.07Å; E73-L75 PolarHBondContact O-N 3.08Å; E73-E76 PolarHBondContact O-N 2.98Å; E73-L77 VanDerWaalsContact O-CD1 3.26Å; E73-L77 WeakPolarHBondContact O-CD1 3.31Å; E73-L77 PolarHBondContact O-N 2.93Å |
| 74 | E | 39.4 | Very low | 41 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 72% | 0.72 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -75.5 | -24.8 | -175.9 | -155.1 | 166.3 | -153.6 | 0 | 0 | 112.6 | P71 | P71-E74 PolarHBondContact O-N 3.41Å |
| 75 | L | 34.6 | Very low | 39.4 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 62% | 0.618 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -88.6 | -21.2 | 172.6 | -162.7 | 66.3 | 0 | 0 | 0 | 113.3 | E73 | E73-L75 PolarHBondContact O-N 3.08Å |
| 76 | E | 38.6 | Very low | 38.7 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 56% | 0.556 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -79.9 | -25.1 | 168.6 | -77.3 | -159.2 | 125 | 0 | 0 | 112.4 | E73 L79 R80 | E73-E76 PolarHBondContact O-N 2.98Å; E76-L79 PolarHBondContact O-N 2.82Å; E76-R80 WeakPolarHBondContact O-CB 3.04Å; E76-R80 WeakPolarHBondContact O-CG 3.07Å; E76-R80 PolarHBondContact O-N 2.84Å |
| 77 | L | 38.8 | Very low | 38.4 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 57% | 0.571 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68.3 | -32.1 | 171 | -102.3 | 84.5 | 0 | 0 | 0 | 113.3 | E73 L79 R80 S81 | E73-L77 VanDerWaalsContact O-CD1 3.26Å; E73-L77 WeakPolarHBondContact O-CD1 3.31Å; E73-L77 PolarHBondContact O-N 2.93Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-R80 PolarHBondContact O-N 3.44Å; L77-S81 WeakPolarHBondContact O-CB 3.27Å; L77-S81 PolarHBondContact O-N 3.02Å; L77-S81 PolarHBondContact O-OG 2.93Å |
| 78 | E | 33.8 | Very low | 38.4 | Very low | 155 Ų | 155 | 125.2 Ų | 125.2 | 72% | 0.724 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -73.4 | -21.8 | 173.6 | -73.8 | -159.4 | 121.4 | 0 | 0 | 113.3 | ||
| 79 | L | 36.4 | Very low | 38.8 | Very low | 146 Ų | 146 | 119.6 Ų | 119.6 | 76% | 0.764 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -92.8 | -11.8 | 169.4 | -86.1 | 108.1 | 0 | 0 | 0 | 114.5 | E76 L77 | E76-L79 PolarHBondContact O-N 2.82Å; L77-L79 VanDerWaalsContact C-N 3.33Å |
| 80 | R | 37.3 | Very low | 39.3 | Very low | 210 Ų | 210 | 118.2 Ų | 118.2 | 79% | 0.792 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -99.9 | -16.6 | 172.9 | -74.7 | -177.7 | 164.3 | -144.4 | -5 | 114.6 | E76 L77 G82 | E76-R80 WeakPolarHBondContact O-CB 3.04Å; E76-R80 WeakPolarHBondContact O-CG 3.07Å; E76-R80 PolarHBondContact O-N 2.84Å; L77-R80 PolarHBondContact O-N 3.44Å; R80-G82 PolarHBondContact O-N 3.15Å |
| 81 | S | 34.2 | Very low | 39.8 | Very low | 96 Ų | 96 | 109.7 Ų | 109.7 | 67% | 0.671 | 62% | 0.617 | S | S | * | * | trans | -78.1 | 7.7 | 166.7 | -57.6 | 0 | 0 | 0 | 0 | 113.2 | L77 G83 | L77-S81 WeakPolarHBondContact O-CB 3.27Å; L77-S81 PolarHBondContact O-N 3.02Å; L77-S81 PolarHBondContact O-OG 2.93Å; S81-G83 PolarHBondContact O-N 3.24Å | ||
| 82 | G | 27.6 | Very low | 39.7 | Very low | 58 Ų | 58 | 113 Ų | 113 | 60% | 0.598 | 64% | 0.638 | S | S | * | * | trans | -69.1 | 73 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R80 G84 | R80-G82 PolarHBondContact O-N 3.15Å; G82-G84 PolarHBondContact O-N 3.36Å | ||
| 83 | G | 36.1 | Very low | 40.1 | Very low | 73 Ų | 73 | 107 Ų | 107 | 75% | 0.753 | 62% | 0.619 | S | S | * | * | trans | -56 | 94.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | S81 | S81-G83 PolarHBondContact O-N 3.24Š| ||
| 84 | G | 28 | Very low | 40.4 | Very low | 53 Ų | 53 | 102.7 Ų | 102.7 | 55% | 0.546 | 61% | 0.614 | S | S | . | * | trans | -53.7 | 133 | -173.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | G82 Q86 | G82-G84 PolarHBondContact O-N 3.36Å; G84-Q86 PolarHBondContact O-N 3.2Å; G84-Q86 VanDerWaalsContact O-N 3.17Å | ||
| 85 | P | 33.6 | Very low | 41.2 | Very low | 77 Ų | 77 | 95.8 Ų | 95.8 | 50% | 0.5 | 58% | 0.583 | S | S | . | * | trans | -54.6 | 130.3 | -171.9 | 24 | -34.7 | 0 | 0 | 0 | 108.6 | E87 Y97 | P85-E87 HydrophobicContact CB-CG 4.03Å; P85-E87 HydrophobicContact CG-CG 4.18Å; P85-E87 PolarHBondContact O-N 3.08Å; P85-Y97 PolarHBondContact O-OH 3.2Å | ||
| 86 | Q | 45 | Very low | 42.7 | Very low | 151 Ų | 151 | 90.8 Ų | 90.8 | 71% | 0.706 | 56% | 0.56 | S | S | * | * | trans | -69.7 | 75.7 | 174.2 | -176.5 | 170.5 | -27 | 0 | 0 | 107.7 | G84 D88 | G84-Q86 PolarHBondContact O-N 3.2Å; G84-Q86 VanDerWaalsContact O-N 3.17Å; Q86-D88 PolarHBondContact O-N 3.06Å | ||
| 87 | E | 46.2 | Very low | 44.5 | Very low | 103 Ų | 103 | 87.3 Ų | 87.3 | 48% | 0.481 | 54% | 0.542 | S | S | . | . | trans | -83.9 | 104.6 | 174.4 | -67.7 | -168 | 112.8 | 0 | 0 | 107.3 | P85 R128 | P85-E87 HydrophobicContact CB-CG 4.03Å; P85-E87 HydrophobicContact CG-CG 4.18Å; P85-E87 PolarHBondContact O-N 3.08Å; E87-R128 IonicContact OE2-CZ 3.22Å; E87-R128 IonicContact OE2-NH1 2.83Å; E87-R128 PolarHBondContact OE2-NH1 2.79Å; E87-R128 IonicContact OE2-NH2 3.73Å; E87-R128 PolarHBondContact OE2-NH2 2.88Å | ||
| 88 | D | 53.2 | Low | 46.5 | Very low | 97 Ų | 97 | 85.6 Ų | 85.6 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | trans | -51.6 | 139.1 | -176.6 | -62.1 | -69.1 | 0 | 0 | 0 | 112 | Q86 P90 | Q86-D88 PolarHBondContact O-N 3.06Å; D88-P90 WeakPolarHBondContact O-CD 3.27Å; D88-P90 VanDerWaalsContact O-N 3.16Å | ||
| 89 | C | 58.1 | Low | 48.8 | Very low | 21 Ų | 21 | 80.8 Ų | 80.8 | 14% | 0.142 | 53% | 0.527 | C | S | . | . | trans | -53.9 | 122 | 161.2 | -80.8 | 0 | 0 | 0 | 0 | 108.1 | G91 C135 | C89-G91 PolarHBondContact O-N 3.04Å; C89-C135 HydrophobicContact CB-CB 3.7Å; C89-C135 WeakPolarHBondContact CB-SG 3.45Å; C89-C135 WeakPolarHBondContact SG-CB 3.21Å; C89-C135 CovalentContact SG-SG 2.05Å; C89-C135 PolarHBondContact SG-SG 3.4Å | ||
| 90 | P | 50 | Low | 51 | Low | 128 Ų | 128 | 78 Ų | 78 | 83% | 0.831 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -70.4 | 92.6 | -179 | 27.2 | -33.8 | 0 | 0 | 0 | 110.4 | D88 | D88-P90 WeakPolarHBondContact O-CD 3.27Å; D88-P90 VanDerWaalsContact O-N 3.16Å |
| 91 | G | 46.3 | Very low | 53.2 | Low | 47 Ų | 47 | 72.5 Ų | 72.5 | 49% | 0.485 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -170.2 | 167.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C89 G93 | C89-G91 PolarHBondContact O-N 3.04Å; G91-G93 PolarHBondContact O-N 2.93Å |
| 92 | P | 35.6 | Very low | 55.5 | Low | 153 Ų | 153 | 71 Ų | 71 | 99% | 0.994 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -69.9 | -2.3 | -163.7 | -22.1 | 34.9 | 0 | 0 | 0 | 117.2 | ||
| 93 | G | 46.7 | Very low | 58.2 | Low | 35 Ų | 35 | 68.5 Ų | 68.5 | 36% | 0.361 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -138.5 | 81.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G91 G95 | G91-G93 PolarHBondContact O-N 2.93Å; G93-G95 PolarHBondContact O-N 2.91Å |
| 94 | G | 49.4 | Very low | 60.7 | Low | 54 Ų | 54 | 67 Ų | 67 | 56% | 0.557 | 43% | 0.434 | S | S | * | . | trans | -47.9 | 107 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 95 | G | 55.1 | Low | 63.6 | Low | 8 Ų | 8 | 64.9 Ų | 64.9 | 8% | 0.082 | 41% | 0.411 | C | S | . | . | trans | -113.2 | 131.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110 | G93 S187 | G93-G95 PolarHBondContact O-N 2.91Å; G95-S187 WeakPolarHBondContact CA-O 3.42Å | ||
| 96 | G | 67.8 | Low | 66.3 | Low | 13 Ų | 13 | 66.9 Ų | 66.9 | 13% | 0.134 | 41% | 0.408 | C | S | . | . | trans | -77 | 165.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S187 | G96-S187 PolarHBondContact O-N 2.87Å; G96-S187 PolarHBondContact O-OG 2.83Å | ||
| 97 | Y | 75.4 | Confident | 68.3 | Low | 46 Ų | 46 | 63 Ų | 63 | 18% | 0.18 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 144 | 165.5 | 62.4 | -95.9 | 0 | 0 | 0 | 110.2 | P85 W127 V131 Y184 S185 | P85-Y97 PolarHBondContact O-OH 3.2Å; Y97-W127 HydrophobicContact CE2-CH2 4.44Å; Y97-W127 HydrophobicContact CE2-CZ3 4.02Å; Y97-W127 AromaticContact CZ-CZ3 3.94Å; Y97-V131 HydrophobicContact CD1-CG1 4Å; Y97-V131 HydrophobicContact CG-CG1 4.2Å; Y97-Y184 HydrophobicContact CD2-CD1 4.16Å; Y97-S185 CarbonylContact C-O 3.57Å; Y97-S185 WeakPolarHBondContact CA-O 3.5Å |
| 98 | S | 80.3 | Confident | 70.2 | Confident | 73 Ų | 73 | 66.4 Ų | 66.4 | 51% | 0.51 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125.4 | 169.6 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | Y184 S185 | S98-Y184 WeakPolarHBondContact O-CA 3.47Å; S98-S185 PolarHBondContact N-O 3.49Å; S98-S185 PolarHBondContact O-N 2.8Å; S98-S185 PolarHBondContact O-OG 3.34Å |
| 99 | A | 81.9 | Confident | 71.9 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 46% | 0.455 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 130.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y184 | A99-Y184 HydrophobicContact CB-CD1 3.67Å; A99-Y184 HydrophobicContact CB-CE1 3.64Å |
| 100 | M | 83.7 | Confident | 73.5 | Confident | 88 Ų | 88 | 63.2 Ų | 63.2 | 43% | 0.433 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 97.7 | 176.6 | -162.3 | -179.9 | -73 | 0 | 0 | 108.3 | A103 F175 S183 | M100-A103 HydrophobicContact CB-CB 4.1Å; M100-A103 HydrophobicContact CG-CB 3.53Å; M100-A103 HydrophobicContact SD-CB 3.73Å; M100-F175 HydrophobicContact SD-CB 4.17Å; M100-F175 HydrophobicContact SD-CD1 4.5Å; M100-F175 HydrophobicContact SD-CD2 4.38Å; M100-F175 HydrophobicContact SD-CG 4.1Å; M100-S183 PolarHBondContact N-O 3.21Å; M100-S183 PolarHBondContact O-N 3.06Å |
| 101 | P | 82.2 | Confident | 75.3 | Confident | 93 Ų | 93 | 61.2 Ų | 61.2 | 60% | 0.604 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 152.7 | -178.2 | 31 | -35 | 0 | 0 | 0 | 111.6 | A103 | P101-A103 PolarHBondContact O-N 2.92Å; P101-A103 VanDerWaalsContact O-N 3.14Å |
| 102 | D | 82.5 | Confident | 77.3 | Confident | 65 Ų | 65 | 63.2 Ų | 63.2 | 35% | 0.348 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 33.4 | -177.5 | -71.7 | -33.7 | 0 | 0 | 0 | 113.5 | L177 H178 R179 G180 Y181 | D102-L177 HydrophobicContact CB-CD1 4.23Å; D102-L177 CarbonylContact O-C 3.48Å; D102-L177 WeakPolarHBondContact O-CA 3.42Å; D102-L177 WeakPolarHBondContact O-CD1 3.34Å; D102-H178 CarbonylContact C-O 3.56Å; D102-H178 CarbonylContact O-C 3.47Å; D102-H178 PolarHBondContact O-N 2.68Å; D102-R179 WeakPolarHBondContact OD1-CA 3.37Å; D102-G180 PolarHBondContact OD1-N 2.83Å; D102-Y181 CarbonylContact C-O 3.54Å; D102-Y181 WeakPolarHBondContact CA-O 3.37Å; D102-Y181 PolarHBondContact N-O 3.15Å; D102-Y181 VanDerWaalsContact N-O 3.14Å |
| 103 | A | 84.8 | Confident | 79.8 | Confident | 5 Ų | 5 | 58 Ų | 58 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 124.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | M100 P101 A176 Y181 S183 | M100-A103 HydrophobicContact CB-CB 4.1Å; M100-A103 HydrophobicContact CG-CB 3.53Å; M100-A103 HydrophobicContact SD-CB 3.73Å; P101-A103 PolarHBondContact O-N 2.92Å; P101-A103 VanDerWaalsContact O-N 3.14Å; A103-A176 WeakPolarHBondContact CA-O 3.41Å; A103-Y181 PolarHBondContact N-O 2.64Å; A103-S183 WeakPolarHBondContact O-CB 3.37Å; A103-S183 PolarHBondContact O-N 3.45Å; A103-S183 PolarHBondContact O-OG 2.71Å |
| 104 | I | 89.1 | Confident | 81.7 | Confident | 42 Ų | 42 | 58.4 Ų | 58.4 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 146.8 | 175.7 | -163.6 | 174.2 | 0 | 0 | 0 | 110.7 | F175 A176 H178 Y181 | I104-F175 CarbonylContact O-C 3.59Å; I104-F175 VanDerWaalsContact O-CA 3.32Å; I104-F175 WeakPolarHBondContact O-CA 3.39Å; I104-A176 HydrophobicContact CG2-CB 4.38Å; I104-A176 PolarHBondContact N-O 3.07Å; I104-A176 PolarHBondContact O-N 2.93Å; I104-H178 HydrophobicContact CB-CB 4.17Å; I104-H178 HydrophobicContact CG2-CB 3.59Å; I104-Y181 HydrophobicContact CB-CG 4.19Å; I104-Y181 HydrophobicContact CD1-CD1 3.86Å; I104-Y181 HydrophobicContact CD1-CD2 3.86Å; I104-Y181 HydrophobicContact CD1-CE1 3.89Å; I104-Y181 HydrophobicContact CD1-CE2 3.92Å; I104-Y181 HydrophobicContact CD1-CG 3.83Å; I104-Y181 HydrophobicContact CG1-CD1 4.13Å; I104-Y181 HydrophobicContact CG1-CD2 4.48Å; I104-Y181 HydrophobicContact CG1-CG 4.05Å |
| 105 | I | 89.6 | Confident | 83.8 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 5% | 0.046 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 129.5 | 171.7 | -172.7 | 175.5 | 0 | 0 | 0 | 110.8 | T107 S110 V144 F163 C173 F175 | I105-T107 VanDerWaalsContact C-N 3.31Å; I105-T107 HydrophobicContact CG2-CG2 3.98Å; I105-T107 PolarHBondContact O-N 3.11Å; I105-S110 WeakPolarHBondContact CG1-OG 3.45Å; I105-V144 HydrophobicContact CB-CG2 4.3Å; I105-V144 HydrophobicContact CG2-CG2 3.86Å; I105-F163 HydrophobicContact CD1-CB 4.28Å; I105-F163 HydrophobicContact CD1-CD1 3.84Å; I105-F163 HydrophobicContact CD1-CD2 4.26Å; I105-F163 HydrophobicContact CD1-CE1 4.18Å; I105-F163 HydrophobicContact CD1-CG 3.87Å; I105-F163 HydrophobicContact CG2-CD2 4.25Å; I105-F163 HydrophobicContact CG2-CE1 4.32Å; I105-F163 HydrophobicContact CG2-CE2 3.71Å; I105-F163 HydrophobicContact CG2-CZ 3.75Å; I105-C173 HydrophobicContact CD1-CB 4.01Å; I105-C173 WeakPolarHBondContact CD1-SG 3.36Å; I105-C173 HydrophobicContact CG1-CB 4.35Å; I105-F175 HydrophobicContact CB-CD1 4.37Å; I105-F175 HydrophobicContact CB-CE1 4.24Å |
| 106 | R | 89.3 | Confident | 85.5 | Confident | 119 Ų | 119 | 58.2 Ų | 58.2 | 45% | 0.449 | 35% | 0.347 | S | S | . | . | trans | -73.1 | 87.2 | 167.6 | -69.8 | 179.3 | 59.1 | 159 | -0 | 108.3 | K108 D109 S110 K174 A176 | R106-K108 PolarHBondContact O-N 2.84Å; R106-D109 HydrophobicContact CB-CB 4.27Å; R106-D109 IonicContact CZ-OD2 2.71Å; R106-D109 IonicContact NE-OD2 3.14Å; R106-D109 PolarHBondContact NE-OD2 3.37Å; R106-D109 VanDerWaalsContact NH2-CG 3.27Å; R106-D109 IonicContact NH2-OD1 2.83Å; R106-D109 PolarHBondContact NH2-OD1 3.14Å; R106-D109 IonicContact NH2-OD2 3.93Å; R106-D109 PolarHBondContact NH2-OD2 3.02Å; R106-D109 PolarHBondContact O-N 3Å; R106-S110 VanDerWaalsContact O-CB 3.24Å; R106-S110 WeakPolarHBondContact O-CB 3.08Å; R106-S110 PolarHBondContact O-N 2.85Å; R106-S110 PolarHBondContact O-OG 3.05Å; R106-K174 HydrophobicContact CB-CB 4.32Å; R106-K174 WeakPolarHBondContact CB-O 3.44Å; R106-K174 PolarHBondContact N-O 2.72Å; R106-A176 HydrophobicContact CG-CB 3.81Å | ||
| 107 | T | 86.4 | Confident | 86.7 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 43% | 0.429 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -54.4 | -53.4 | -172.1 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | I105 D109 S110 L111 F163 | I105-T107 VanDerWaalsContact C-N 3.31Å; I105-T107 HydrophobicContact CG2-CG2 3.98Å; I105-T107 PolarHBondContact O-N 3.11Å; T107-D109 PolarHBondContact O-N 3.04Å; T107-S110 PolarHBondContact O-N 2.84Å; T107-L111 WeakPolarHBondContact O-CB 2.95Å; T107-L111 WeakPolarHBondContact O-CG 3.02Å; T107-L111 PolarHBondContact O-N 2.63Å; T107-F163 HydrophobicContact CG2-CE1 4.16Å; T107-F163 HydrophobicContact CG2-CZ 4.02Å |
| 108 | K | 87.3 | Confident | 87.3 | Confident | 173 Ų | 173 | 62.6 Ų | 62.6 | 75% | 0.752 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -53.7 | -50.8 | -180 | -173.8 | 179.9 | 179.9 | -177.6 | 0 | 112.6 | R106 A112 | R106-K108 PolarHBondContact O-N 2.84Å; K108-A112 WeakPolarHBondContact O-CB 3.47Å; K108-A112 PolarHBondContact O-N 3.25Å |
| 109 | D | 88 | Confident | 87.8 | Confident | 51 Ų | 51 | 66.3 Ų | 66.3 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -73.9 | -32.7 | -176.6 | -52.2 | -74.2 | 0 | 0 | 0 | 112.8 | R106 T107 A113 K174 | R106-D109 HydrophobicContact CB-CB 4.27Å; R106-D109 IonicContact CZ-OD2 2.71Å; R106-D109 IonicContact NE-OD2 3.14Å; R106-D109 PolarHBondContact NE-OD2 3.37Å; R106-D109 VanDerWaalsContact NH2-CG 3.27Å; R106-D109 IonicContact NH2-OD1 2.83Å; R106-D109 PolarHBondContact NH2-OD1 3.14Å; R106-D109 IonicContact NH2-OD2 3.93Å; R106-D109 PolarHBondContact NH2-OD2 3.02Å; R106-D109 PolarHBondContact O-N 3Å; T107-D109 PolarHBondContact O-N 3.04Å; D109-A113 WeakPolarHBondContact O-CB 3.17Å; D109-A113 PolarHBondContact O-N 3Å; D109-K174 HydrophobicContact CB-CD 4.08Å |
| 110 | S | 91.6 | Very high | 88 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.007 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.9 | -43.7 | 176.9 | -57 | 0 | 0 | 0 | 0 | 111.1 | I105 R106 T107 A113 G114 A115 C173 K174 | I105-S110 WeakPolarHBondContact CG1-OG 3.45Å; R106-S110 VanDerWaalsContact O-CB 3.24Å; R106-S110 WeakPolarHBondContact O-CB 3.08Å; R106-S110 PolarHBondContact O-N 2.85Å; R106-S110 PolarHBondContact O-OG 3.05Å; T107-S110 PolarHBondContact O-N 2.84Å; S110-A113 CarbonylContact O-C 3.58Å; S110-A113 PolarHBondContact O-N 3.34Å; S110-A113 VanDerWaalsContact O-N 3.17Å; S110-G114 PolarHBondContact O-N 3.02Å; S110-A115 WeakPolarHBondContact O-CB 3.11Å; S110-A115 PolarHBondContact O-N 3.49Å; S110-C173 WeakPolarHBondContact OG-CA 3.27Å; S110-K174 PolarHBondContact OG-N 3.42Å; S110-K174 PolarHBondContact OG-O 2.01Å |
| 111 | L | 89.3 | Confident | 88 | Confident | 85 Ų | 85 | 63.2 Ų | 63.2 | 45% | 0.445 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 174 | -67.6 | 173.5 | 0 | 0 | 0 | 110.9 | T107 A113 G114 A115 | T107-L111 WeakPolarHBondContact O-CB 2.95Å; T107-L111 WeakPolarHBondContact O-CG 3.02Å; T107-L111 PolarHBondContact O-N 2.63Å; L111-A113 PolarHBondContact O-N 2.85Å; L111-G114 PolarHBondContact O-N 2.81Å; L111-A115 VanDerWaalsContact CD2-O 3.31Å; L111-A115 WeakPolarHBondContact CD2-O 3.07Å |
| 112 | A | 88.3 | Confident | 87.3 | Confident | 90 Ų | 90 | 63.2 Ų | 63.2 | 74% | 0.744 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.4 | -30.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K108 G114 | K108-A112 WeakPolarHBondContact O-CB 3.47Å; K108-A112 PolarHBondContact O-N 3.25Å; A112-G114 VanDerWaalsContact C-N 3.27Å; A112-G114 PolarHBondContact O-N 3.22Å |
| 113 | A | 86.6 | Confident | 86.5 | Confident | 44 Ų | 44 | 63 Ų | 63 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -0.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D109 S110 L111 V172 | D109-A113 WeakPolarHBondContact O-CB 3.17Å; D109-A113 PolarHBondContact O-N 3Å; S110-A113 CarbonylContact O-C 3.58Å; S110-A113 PolarHBondContact O-N 3.34Å; S110-A113 VanDerWaalsContact O-N 3.17Å; L111-A113 PolarHBondContact O-N 2.85Å; A113-V172 HydrophobicContact CB-CB 3.98Å; A113-V172 HydrophobicContact CB-CG2 4.49Å |
| 114 | G | 88.3 | Confident | 86.1 | Confident | 43 Ų | 43 | 63 Ų | 63 | 44% | 0.443 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | 10.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | S110 L111 A112 | S110-G114 PolarHBondContact O-N 3.02Å; L111-G114 PolarHBondContact O-N 2.81Å; A112-G114 VanDerWaalsContact C-N 3.27Å; A112-G114 PolarHBondContact O-N 3.22Å |
| 115 | A | 92.1 | Very high | 85.4 | Confident | 9 Ų | 9 | 72 Ų | 72 | 7% | 0.074 | 40% | 0.4 | C | S | . | . | trans | -67.3 | 162.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111 | S110 L111 N164 V172 C173 | S110-A115 WeakPolarHBondContact O-CB 3.11Å; S110-A115 PolarHBondContact O-N 3.49Å; L111-A115 VanDerWaalsContact CD2-O 3.31Å; L111-A115 WeakPolarHBondContact CD2-O 3.07Å; A115-N164 CarbonylContact C-O 3.58Å; A115-N164 VanDerWaalsContact CA-O 3.28Å; A115-N164 WeakPolarHBondContact CA-O 3.24Å; A115-N164 WeakPolarHBondContact CB-O 3.4Å; A115-V172 HydrophobicContact CB-CG2 4.24Å; A115-C173 VanDerWaalsContact CB-SG 3.57Å | ||
| 116 | S | 91.4 | Very high | 84.8 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 34% | 0.343 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 142.3 | 172.4 | 46.5 | 0 | 0 | 0 | 0 | 111.7 | F163 N164 | S116-F163 WeakPolarHBondContact O-CA 3.35Å; S116-N164 PolarHBondContact N-O 3.02Å; S116-N164 PolarHBondContact O-N 3.17Å |
| 117 | F | 92.3 | Very high | 84.3 | Confident | 100 Ų | 100 | 70.9 Ų | 70.9 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 134 | 169.5 | 173.8 | -107.5 | 0 | 0 | 0 | 109.2 | R119 A120 Y161 L162 F163 | F117-R119 VanDerWaalsContact CZ-C 3.42Å; F117-A120 HydrophobicContact CZ-CB 4.1Å; F117-Y161 HydrophobicContact CE2-CD1 4.38Å; F117-L162 WeakPolarHBondContact CD2-O 3.48Å; F117-F163 HydrophobicContact CB-CD1 4.08Å; F117-F163 HydrophobicContact CB-CE1 3.92Å; F117-F163 HydrophobicContact CD2-CD1 4.06Å; F117-F163 AromaticContact CD2-CE1 3.64Å; F117-F163 HydrophobicContact CD2-CE1 3.64Å; F117-F163 HydrophobicContact CD2-CE2 4.21Å; F117-F163 AromaticContact CD2-CZ 3.73Å; F117-F163 HydrophobicContact CD2-CZ 3.73Å; F117-F163 HydrophobicContact CE2-CZ 4.36Å; F117-F163 HydrophobicContact CG-CE1 4.24Å |
| 118 | L | 89.5 | Confident | 84.1 | Confident | 50 Ų | 50 | 73.2 Ų | 73.2 | 26% | 0.262 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -62.7 | -176 | -60.3 | 175 | 0 | 0 | 0 | 111.3 | E137 S139 C140 L162 N164 | L118-E137 HydrophobicContact CD1-CG 4.08Å; L118-S139 WeakPolarHBondContact CD2-OG 3.41Å; L118-C140 VanDerWaalsContact CD1-CA 3.49Å; L118-C140 HydrophobicContact CD1-CB 3.7Å; L118-L162 HydrophobicContact CB-CB 4.31Å; L118-L162 WeakPolarHBondContact CB-O 3.16Å; L118-L162 PolarHBondContact N-O 3.11Å; L118-N164 HydrophobicContact CD1-CB 4.2Å; L118-N164 HydrophobicContact CD2-CB 4.08Å; L118-N164 HydrophobicContact CG-CB 4.25Å |
| 119 | R | 88.8 | Confident | 84 | Confident | 151 Ų | 151 | 69.9 Ų | 69.9 | 57% | 0.57 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 154 | -175.5 | -172.2 | 172.6 | -74.9 | 139.5 | -4.4 | 110.3 | F117 E137 L162 | F117-R119 VanDerWaalsContact CZ-C 3.42Å; R119-E137 IonicContact NH1-OE2 3.43Å; R119-L162 WeakPolarHBondContact O-CB 3.42Å; R119-L162 PolarHBondContact O-N 3.16Å |
| 120 | A | 87.6 | Confident | 83.9 | Confident | 48 Ų | 48 | 67.5 Ų | 67.5 | 40% | 0.397 | 38% | 0.377 | S | S | . | . | trans | -104.5 | 104.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | F117 C160 Y161 | F117-A120 HydrophobicContact CZ-CB 4.1Å; A120-C160 WeakPolarHBondContact CA-O 3.24Å; A120-C160 WeakPolarHBondContact CB-O 3.2Å; A120-Y161 HydrophobicContact CB-CD1 3.84Å; A120-Y161 HydrophobicContact CB-CE1 4.16Å | ||
| 121 | P | 83 | Confident | 83.6 | Confident | 30 Ų | 30 | 67.7 Ų | 67.7 | 20% | 0.195 | 38% | 0.378 | C | S | . | . | trans | -58.8 | 144.1 | 172 | -24.1 | 34.6 | 0 | 0 | 0 | 111.1 | A123 A133 C160 L162 | P121-A123 PolarHBondContact O-N 3.43Å; P121-A133 HydrophobicContact CG-CB 4.12Å; P121-C160 WeakPolarHBondContact CD-O 3.46Å; P121-L162 HydrophobicContact CG-CD1 3.76Å; P121-L162 HydrophobicContact CG-CG 4.03Å | ||
| 122 | A | 67.9 | Low | 83.4 | Confident | 94 Ų | 94 | 66 Ų | 66 | 78% | 0.777 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -61.9 | 127.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V124 | A122-V124 PolarHBondContact O-N 2.92Š|
| 123 | A | 64.8 | Low | 83.3 | Confident | 59 Ų | 59 | 62.9 Ų | 62.9 | 49% | 0.488 | 35% | 0.351 | S | S | . | . | trans | 39.7 | 66.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | P121 V157 | P121-A123 PolarHBondContact O-N 3.43Å; A123-V157 HydrophobicContact CB-CB 4.37Å; A123-V157 HydrophobicContact CB-CG1 3.33Å; A123-V157 HydrophobicContact CB-CG2 4.1Å | ||
| 124 | V | 77.4 | Confident | 83.3 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.03 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -75.1 | 145.2 | -178.6 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | A122 G126 Q129 C130 L158 C160 | A122-V124 PolarHBondContact O-N 2.92Å; V124-G126 VanDerWaalsContact C-N 3.32Å; V124-Q129 HydrophobicContact CB-CB 4.2Å; V124-Q129 HydrophobicContact CB-CG 4.33Å; V124-Q129 HydrophobicContact CG1-CB 4.5Å; V124-Q129 HydrophobicContact CG1-CG 4.27Å; V124-C130 HydrophobicContact CG2-CB 4.22Å; V124-L158 HydrophobicContact CG2-CB 3.89Å; V124-L158 PolarHBondContact N-O 2.96Å; V124-L158 PolarHBondContact O-N 3.5Å; V124-C160 HydrophobicContact CG1-CB 3.9Å; V124-C160 HydrophobicContact CG2-CB 3.82Å |
| 125 | R | 73.8 | Confident | 83.2 | Confident | 232 Ų | 232 | 59.5 Ų | 59.5 | 88% | 0.875 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -84.4 | -4.1 | -179.3 | -63.7 | -175.9 | -177.3 | 170.8 | 1.2 | 114 | ||
| 126 | G | 77.3 | Confident | 82.8 | Confident | 21 Ų | 21 | 63.6 Ų | 63.6 | 22% | 0.216 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -175.2 | 153.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V124 R128 Q129 L158 | V124-G126 VanDerWaalsContact C-N 3.32Å; G126-R128 PolarHBondContact O-N 2.79Å; G126-Q129 WeakPolarHBondContact O-CB 3.35Å; G126-Q129 PolarHBondContact O-N 2.57Å; G126-L158 VanDerWaalsContact CA-CD1 3.5Å |
| 127 | W | 79 | Confident | 82.5 | Confident | 84 Ų | 84 | 63.8 Ų | 63.8 | 32% | 0.318 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -54.7 | -38.3 | 179.2 | 63.5 | -93.3 | 0 | 0 | 0 | 112.7 | Y97 Q129 C130 V131 V145 Y184 | Y97-W127 HydrophobicContact CE2-CH2 4.44Å; Y97-W127 HydrophobicContact CE2-CZ3 4.02Å; Y97-W127 AromaticContact CZ-CZ3 3.94Å; W127-Q129 PolarHBondContact O-N 3.49Å; W127-C130 WeakPolarHBondContact O-CA 3.35Å; W127-C130 VanDerWaalsContact O-CB 3.32Å; W127-C130 WeakPolarHBondContact O-CB 3.08Å; W127-C130 PolarHBondContact O-N 2.87Å; W127-V131 HydrophobicContact CE3-CG2 4.17Å; W127-V131 PolarHBondContact O-N 3Å; W127-V145 HydrophobicContact CB-CG1 4.21Å; W127-V145 HydrophobicContact CB-CG2 4.07Å; W127-Y184 HydrophobicContact CB-CE2 4.09Å; W127-Y184 WeakPolarHBondContact CB-OH 3.35Å; W127-Y184 HydrophobicContact CD2-CE1 4.25Å; W127-Y184 HydrophobicContact CE3-CD1 4.31Å; W127-Y184 AromaticContact CE3-CE1 3.58Å; W127-Y184 HydrophobicContact CE3-CE1 3.58Å; W127-Y184 AromaticContact CE3-CZ 3.75Å; W127-Y184 AromaticContact CZ3-CE1 4Å; W127-Y184 HydrophobicContact CZ3-CE1 4Å |
| 128 | R | 82.8 | Confident | 82 | Confident | 118 Ų | 118 | 64 Ų | 64 | 45% | 0.445 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -53.4 | -38.4 | 176 | -65.7 | 179.4 | 166.3 | -84.4 | 16.6 | 112.9 | E87 G126 V131 A132 | E87-R128 IonicContact OE2-CZ 3.22Å; E87-R128 IonicContact OE2-NH1 2.83Å; E87-R128 PolarHBondContact OE2-NH1 2.79Å; E87-R128 IonicContact OE2-NH2 3.73Å; E87-R128 PolarHBondContact OE2-NH2 2.88Å; G126-R128 PolarHBondContact O-N 2.79Å; R128-V131 PolarHBondContact O-N 3.44Å; R128-A132 WeakPolarHBondContact O-CB 3.31Å; R128-A132 PolarHBondContact O-N 2.87Å |
| 129 | Q | 84.1 | Confident | 81.8 | Confident | 104 Ų | 104 | 63.8 Ų | 63.8 | 49% | 0.486 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -74.6 | -28.9 | 179.8 | -170.2 | 174.1 | 28.8 | 0 | 0 | 111.9 | V124 G126 W127 A133 | V124-Q129 HydrophobicContact CB-CB 4.2Å; V124-Q129 HydrophobicContact CB-CG 4.33Å; V124-Q129 HydrophobicContact CG1-CB 4.5Å; V124-Q129 HydrophobicContact CG1-CG 4.27Å; G126-Q129 WeakPolarHBondContact O-CB 3.35Å; G126-Q129 PolarHBondContact O-N 2.57Å; W127-Q129 PolarHBondContact O-N 3.49Å; Q129-A133 WeakPolarHBondContact O-CB 3.47Å; Q129-A133 PolarHBondContact O-N 2.8Å; Q129-A133 VanDerWaalsContact O-N 3.08Å |
| 130 | C | 86.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.8 | -44.1 | 171 | -166.2 | 0 | 0 | 0 | 0 | 111.8 | V124 W127 A133 C134 V145 C160 | V124-C130 HydrophobicContact CG2-CB 4.22Å; W127-C130 WeakPolarHBondContact O-CA 3.35Å; W127-C130 VanDerWaalsContact O-CB 3.32Å; W127-C130 WeakPolarHBondContact O-CB 3.08Å; W127-C130 PolarHBondContact O-N 2.87Å; C130-A133 WeakPolarHBondContact O-CB 3.33Å; C130-A133 PolarHBondContact O-N 2.87Å; C130-C134 PolarHBondContact O-N 2.9Å; C130-V145 HydrophobicContact CB-CG2 3.67Å; C130-C160 WeakPolarHBondContact CA-SG 3.31Å; C130-C160 HydrophobicContact CB-CB 3.84Å; C130-C160 WeakPolarHBondContact CB-SG 3.19Å; C130-C160 WeakPolarHBondContact SG-CB 3.4Å; C130-C160 CovalentContact SG-SG 2.03Å; C130-C160 PolarHBondContact SG-SG 3.04Å |
| 131 | V | 86 | Confident | 81.9 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 175.4 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | Y97 W127 R128 A133 C134 C135 Y184 | Y97-V131 HydrophobicContact CD1-CG1 4Å; Y97-V131 HydrophobicContact CG-CG1 4.2Å; W127-V131 HydrophobicContact CE3-CG2 4.17Å; W127-V131 PolarHBondContact O-N 3Å; R128-V131 PolarHBondContact O-N 3.44Å; V131-A133 VanDerWaalsContact C-N 3.34Å; V131-A133 PolarHBondContact O-N 3.3Å; V131-C134 CarbonylContact O-C 3.49Å; V131-C134 WeakPolarHBondContact O-CA 3.32Å; V131-C134 WeakPolarHBondContact O-CB 3.46Å; V131-C134 PolarHBondContact O-N 3.38Å; V131-C135 PolarHBondContact O-N 2.79Å; V131-C135 PolarHBondContact O-SG 2.84Å; V131-C135 VanDerWaalsContact O-SG 3.35Å; V131-Y184 HydrophobicContact CG2-CD1 3.93Å; V131-Y184 HydrophobicContact CG2-CD2 4.09Å; V131-Y184 HydrophobicContact CG2-CG 3.68Å |
| 132 | A | 84.6 | Confident | 82.3 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 41% | 0.413 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | R128 C134 C135 S136 | R128-A132 WeakPolarHBondContact O-CB 3.31Å; R128-A132 PolarHBondContact O-N 2.87Å; A132-C134 VanDerWaalsContact C-N 3.3Å; A132-C134 PolarHBondContact O-N 3.36Å; A132-C135 WeakPolarHBondContact O-CB 3.49Å; A132-C135 PolarHBondContact O-N 2.76Å; A132-S136 PolarHBondContact O-N 2.89Å; A132-S136 VanDerWaalsContact O-N 3.1Å |
| 133 | A | 85.4 | Confident | 83.4 | Confident | 24 Ų | 24 | 49.4 Ų | 49.4 | 20% | 0.198 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | P121 Q129 C130 V131 S136 E137 L162 | P121-A133 HydrophobicContact CG-CB 4.12Å; Q129-A133 WeakPolarHBondContact O-CB 3.47Å; Q129-A133 PolarHBondContact O-N 2.8Å; Q129-A133 VanDerWaalsContact O-N 3.08Å; C130-A133 WeakPolarHBondContact O-CB 3.33Å; C130-A133 PolarHBondContact O-N 2.87Å; V131-A133 VanDerWaalsContact C-N 3.34Å; V131-A133 PolarHBondContact O-N 3.3Å; A133-S136 PolarHBondContact O-N 2.84Å; A133-S136 PolarHBondContact O-OG 2.95Å; A133-E137 PolarHBondContact O-N 3.48Å; A133-L162 HydrophobicContact CB-CD1 4.23Å |
| 134 | C | 87.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.6 | -41.8 | 172.8 | -164.5 | 0 | 0 | 0 | 0 | 112.8 | C130 V131 A132 S136 E137 C140 A143 L162 L186 | C130-C134 PolarHBondContact O-N 2.9Å; V131-C134 CarbonylContact O-C 3.49Å; V131-C134 WeakPolarHBondContact O-CA 3.32Å; V131-C134 WeakPolarHBondContact O-CB 3.46Å; V131-C134 PolarHBondContact O-N 3.38Å; A132-C134 VanDerWaalsContact C-N 3.3Å; A132-C134 PolarHBondContact O-N 3.36Å; C134-S136 PolarHBondContact O-N 2.9Å; C134-E137 PolarHBondContact O-N 3.01Å; C134-E137 VanDerWaalsContact O-N 3.14Å; C134-E137 VanDerWaalsContact O-O 3.09Å; C134-C140 WeakPolarHBondContact CA-SG 3.25Å; C134-C140 HydrophobicContact CB-CB 4.02Å; C134-C140 WeakPolarHBondContact CB-SG 3.33Å; C134-C140 WeakPolarHBondContact SG-CB 3.36Å; C134-C140 CovalentContact SG-SG 2.04Å; C134-C140 PolarHBondContact SG-SG 3.17Å; C134-A143 HydrophobicContact CB-CB 3.97Å; C134-L162 HydrophobicContact CB-CD2 3.87Å; C134-L186 HydrophobicContact CB-CD1 4.1Å; C134-L186 HydrophobicContact CB-CD2 4.14Å; C134-L186 VanDerWaalsContact SG-CD1 3.53Å |
| 135 | C | 85.7 | Confident | 85.2 | Confident | 16 Ų | 16 | 46.6 Ų | 46.6 | 11% | 0.108 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.2 | -39.3 | 174.5 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | C89 V131 A132 R188 | C89-C135 HydrophobicContact CB-CB 3.7Å; C89-C135 WeakPolarHBondContact CB-SG 3.45Å; C89-C135 WeakPolarHBondContact SG-CB 3.21Å; C89-C135 CovalentContact SG-SG 2.05Å; C89-C135 PolarHBondContact SG-SG 3.4Å; V131-C135 PolarHBondContact O-N 2.79Å; V131-C135 PolarHBondContact O-SG 2.84Å; V131-C135 VanDerWaalsContact O-SG 3.35Å; A132-C135 WeakPolarHBondContact O-CB 3.49Å; A132-C135 PolarHBondContact O-N 2.76Å; C135-R188 PolarHBondContact O-NH2 2.76Å; C135-R188 VanDerWaalsContact O-NH2 3.1Å |
| 136 | S | 83.9 | Confident | 85.9 | Confident | 95 Ų | 95 | 38.3 Ų | 38.3 | 66% | 0.664 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -75.4 | -19.6 | -179.1 | 73 | 0 | 0 | 0 | 0 | 114.9 | A132 A133 C134 | A132-S136 PolarHBondContact O-N 2.89Å; A132-S136 VanDerWaalsContact O-N 3.1Å; A133-S136 PolarHBondContact O-N 2.84Å; A133-S136 PolarHBondContact O-OG 2.95Å; C134-S136 PolarHBondContact O-N 2.9Å |
| 137 | E | 84.8 | Confident | 85.9 | Confident | 53 Ų | 53 | 40.7 Ų | 40.7 | 25% | 0.248 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -97.2 | 112.4 | -179.1 | -175 | 69.5 | -109.9 | 0 | 0 | 108.8 | L118 R119 A133 C134 S139 C140 | L118-E137 HydrophobicContact CD1-CG 4.08Å; R119-E137 IonicContact NH1-OE2 3.43Å; A133-E137 PolarHBondContact O-N 3.48Å; C134-E137 PolarHBondContact O-N 3.01Å; C134-E137 VanDerWaalsContact O-N 3.14Å; C134-E137 VanDerWaalsContact O-O 3.09Å; E137-S139 PolarHBondContact O-N 3.13Å; E137-S139 VanDerWaalsContact O-N 3.13Å; E137-C140 HydrophobicContact CB-CB 3.77Å; E137-C140 HydrophobicContact CG-CB 3.97Å; E137-C140 WeakPolarHBondContact O-CB 3.22Å; E137-C140 PolarHBondContact O-N 3.13Å |
| 138 | P | 81.6 | Confident | 85.5 | Confident | 105 Ų | 105 | 39.2 Ų | 39.2 | 68% | 0.682 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -24 | -168 | 25.1 | -35.4 | 0 | 0 | 0 | 113.9 | ||
| 139 | S | 86.4 | Confident | 84.6 | Confident | 44 Ų | 44 | 43 Ų | 43 | 31% | 0.308 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -5.6 | 176.7 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | L118 E137 N164 | L118-S139 WeakPolarHBondContact CD2-OG 3.41Å; E137-S139 PolarHBondContact O-N 3.13Å; E137-S139 VanDerWaalsContact O-N 3.13Å; S139-N164 WeakPolarHBondContact O-CB 3.36Å; S139-N164 PolarHBondContact O-OD1 2.81Å |
| 140 | C | 88.2 | Confident | 83.5 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | trans | -80.4 | 129.6 | -178.2 | -170.8 | 0 | 0 | 0 | 0 | 111.3 | L118 C134 E137 | L118-C140 VanDerWaalsContact CD1-CA 3.49Å; L118-C140 HydrophobicContact CD1-CB 3.7Å; C134-C140 WeakPolarHBondContact CA-SG 3.25Å; C134-C140 HydrophobicContact CB-CB 4.02Å; C134-C140 WeakPolarHBondContact CB-SG 3.33Å; C134-C140 WeakPolarHBondContact SG-CB 3.36Å; C134-C140 CovalentContact SG-SG 2.04Å; C134-C140 PolarHBondContact SG-SG 3.17Å; E137-C140 HydrophobicContact CB-CB 3.77Å; E137-C140 HydrophobicContact CG-CB 3.97Å; E137-C140 WeakPolarHBondContact O-CB 3.22Å; E137-C140 PolarHBondContact O-N 3.13Å | ||
| 141 | S | 88.8 | Confident | 81.9 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 8% | 0.077 | 30% | 0.302 | C | S | . | . | trans | -125.2 | -19.1 | 176.9 | 72.4 | 0 | 0 | 0 | 0 | 112.9 | F163 C165 S185 L186 | S141-F163 PolarHBondContact N-O 2.86Å; S141-C165 WeakPolarHBondContact OG-CB 3.38Å; S141-C165 PolarHBondContact OG-N 2.74Å; S141-S185 CarbonylContact O-C 3.48Å; S141-S185 WeakPolarHBondContact O-CA 3.05Å; S141-L186 PolarHBondContact O-N 2.92Å | ||
| 142 | V | 91.3 | Very high | 80.1 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.03 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 131.4 | 176.1 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | V144 F163 C165 F175 Y184 | V142-V144 HydrophobicContact CG1-CG2 4.16Å; V142-F163 HydrophobicContact CB-CB 4.48Å; V142-F163 PolarHBondContact N-O 3.36Å; V142-F163 PolarHBondContact O-N 3.05Å; V142-C165 HydrophobicContact CG2-CB 4Å; V142-C165 WeakPolarHBondContact CG2-SG 3.37Å; V142-F175 HydrophobicContact CG1-CE1 4.19Å; V142-F175 HydrophobicContact CG1-CZ 4.2Å; V142-F175 HydrophobicContact CG2-CZ 4.28Å; V142-Y184 CarbonylContact C-O 3.58Å; V142-Y184 VanDerWaalsContact CA-O 3.28Å; V142-Y184 WeakPolarHBondContact CA-O 3.38Å |
| 143 | A | 91.1 | Very high | 78.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 127.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | C134 L162 S183 Y184 | C134-A143 HydrophobicContact CB-CB 3.97Å; A143-L162 HydrophobicContact CB-CD2 3.73Å; A143-S183 CarbonylContact O-C 3.58Å; A143-S183 WeakPolarHBondContact O-CA 3.45Å; A143-Y184 PolarHBondContact N-O 2.75Å; A143-Y184 PolarHBondContact O-N 3.47Å |
| 144 | V | 91.3 | Very high | 77.1 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.9 | 175.9 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | I105 V142 C160 Y161 F163 Y181 | I105-V144 HydrophobicContact CB-CG2 4.3Å; I105-V144 HydrophobicContact CG2-CG2 3.86Å; V142-V144 HydrophobicContact CG1-CG2 4.16Å; V144-C160 WeakPolarHBondContact O-CA 3.21Å; V144-Y161 PolarHBondContact N-O 2.91Å; V144-Y161 PolarHBondContact O-N 2.86Å; V144-F163 HydrophobicContact CG2-CD2 4.11Å; V144-F163 HydrophobicContact CG2-CE2 4.06Å; V144-Y181 HydrophobicContact CG1-CD1 4.12Å |
| 145 | V | 89.6 | Confident | 75.5 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.018 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126 | -179.4 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | W127 C130 L158 G159 Y181 S182 Y184 | W127-V145 HydrophobicContact CB-CG1 4.21Å; W127-V145 HydrophobicContact CB-CG2 4.07Å; C130-V145 HydrophobicContact CB-CG2 3.67Å; V145-L158 HydrophobicContact CG1-CB 4.13Å; V145-L158 HydrophobicContact CG1-CD1 3.94Å; V145-G159 WeakPolarHBondContact CA-O 3.25Å; V145-Y181 WeakPolarHBondContact O-CA 3.31Å; V145-S182 PolarHBondContact N-O 3.44Å; V145-S182 PolarHBondContact O-N 2.65Å; V145-Y184 HydrophobicContact CB-CE2 4.17Å; V145-Y184 HydrophobicContact CG2-CD2 3.99Å; V145-Y184 HydrophobicContact CG2-CE2 3.7Å |
| 146 | E | 87.4 | Confident | 74.2 | Confident | 57 Ų | 57 | 71.1 Ų | 71.1 | 27% | 0.266 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 125.2 | 171.9 | -174.7 | 176.1 | -173.7 | 0 | 0 | 109.6 | L158 G159 Y161 Y181 | E146-L158 VanDerWaalsContact O-CD2 3.31Å; E146-L158 WeakPolarHBondContact O-CD2 3.28Å; E146-G159 PolarHBondContact N-O 2.86Å; E146-Y161 HydrophobicContact CB-CE2 4.33Å; E146-Y161 PolarHBondContact OE2-OH 3.05Å; E146-Y181 HydrophobicContact CB-CD1 3.97Å; E146-Y181 HydrophobicContact CB-CE1 3.66Å; E146-Y181 HydrophobicContact CG-CD1 4.19Å; E146-Y181 HydrophobicContact CG-CE1 3.62Å; E146-Y181 PolarHBondContact OE1-OH 2.87Å |
| 147 | L | 78.6 | Confident | 73.2 | Confident | 71 Ų | 71 | 71 Ų | 71 | 37% | 0.372 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -89.2 | 147.5 | 179.6 | -69.1 | 87.9 | 0 | 0 | 0 | 110.8 | R149 G180 | L147-R149 PolarHBondContact O-N 3.22Å; L147-G180 PolarHBondContact N-O 2.81Å |
| 148 | P | 71.1 | Confident | 72.8 | Confident | 53 Ų | 53 | 69.5 Ų | 69.5 | 34% | 0.344 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -72 | 128.7 | -174.7 | -9.8 | 27.5 | 0 | 0 | 0 | 110.3 | R150 A156 L158 | P148-R150 PolarHBondContact O-N 2.87Å; P148-A156 HydrophobicContact CB-CB 3.82Å; P148-A156 HydrophobicContact CG-CB 3.57Å; P148-L158 VanDerWaalsContact CD-CD2 3.44Å; P148-L158 HydrophobicContact CG-CD2 3.61Å |
| 149 | R | 62.7 | Low | 72.9 | Confident | 198 Ų | 198 | 65.4 Ų | 65.4 | 75% | 0.747 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 116.3 | 167.4 | -62.9 | -175 | -178.8 | -165.5 | -0.9 | 108.3 | L147 | L147-R149 PolarHBondContact O-N 3.22Š|
| 150 | R | 62.5 | Low | 73 | Confident | 240 Ų | 240 | 63.4 Ų | 63.4 | 91% | 0.906 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -59.9 | 146.4 | 175.3 | -72.7 | -172.2 | -177.7 | -177.2 | 3.1 | 110.2 | P148 | P148-R150 PolarHBondContact O-N 2.87Š|
| 151 | P | 52.6 | Low | 73.2 | Confident | 133 Ų | 133 | 66.8 Ų | 66.8 | 86% | 0.864 | 37% | 0.37 | S | S | * | . | S | Bend | cis | -96.1 | 117.7 | 2.3 | 34.3 | -28.5 | 0 | 0 | 0 | 112.5 | ||
| 152 | S | 47.4 | Very low | 73.3 | Confident | 53 Ų | 53 | 66.5 Ų | 66.5 | 37% | 0.371 | 37% | 0.367 | S | S | . | . | trans | -109 | 143.4 | 177.3 | 57.3 | 0 | 0 | 0 | 0 | 111.7 | A156 | S152-A156 WeakPolarHBondContact OG-CB 3.19Š| ||
| 153 | P | 53.6 | Low | 73.4 | Confident | 99 Ų | 99 | 66.9 Ų | 66.9 | 64% | 0.643 | 37% | 0.369 | S | S | * | . | trans | -61.8 | 166 | 177.5 | 24.8 | -33.8 | 0 | 0 | 0 | 113.3 | A155 A156 | P153-A155 PolarHBondContact O-N 2.89Å; P153-A156 PolarHBondContact O-N 2.82Å | ||
| 154 | P | 53.8 | Low | 73.4 | Confident | 146 Ų | 146 | 68.1 Ų | 68.1 | 95% | 0.948 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 11.6 | -167.9 | 27.2 | -37.4 | 0 | 0 | 0 | 117 | ||
| 155 | A | 53.8 | Low | 73.4 | Confident | 85 Ų | 85 | 68.1 Ų | 68.1 | 70% | 0.702 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.2 | 48.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | P153 V157 | P153-A155 PolarHBondContact O-N 2.89Å; A155-V157 PolarHBondContact O-N 3.32Å |
| 156 | A | 57.2 | Low | 73.3 | Confident | 35 Ų | 35 | 71.1 Ų | 71.1 | 29% | 0.289 | 39% | 0.394 | S | S | . | . | trans | -63.9 | 102.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | P148 S152 P153 | P148-A156 HydrophobicContact CB-CB 3.82Å; P148-A156 HydrophobicContact CG-CB 3.57Å; S152-A156 WeakPolarHBondContact OG-CB 3.19Å; P153-A156 PolarHBondContact O-N 2.82Å | ||
| 157 | V | 63.6 | Low | 73.1 | Confident | 92 Ų | 92 | 69.5 Ų | 69.5 | 56% | 0.558 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 129.6 | 172.5 | 165 | 0 | 0 | 0 | 0 | 109.6 | A123 A155 | A123-V157 HydrophobicContact CB-CB 4.37Å; A123-V157 HydrophobicContact CB-CG1 3.33Å; A123-V157 HydrophobicContact CB-CG2 4.1Å; A155-V157 PolarHBondContact O-N 3.32Å |
| 158 | L | 76 | Confident | 73.1 | Confident | 21 Ų | 21 | 78.5 Ų | 78.5 | 11% | 0.11 | 42% | 0.419 | C | S | . | . | B | Isolated β-bridge | trans | -92.8 | 140.3 | 174.5 | -55.8 | 173.6 | 0 | 0 | 0 | 110.4 | V124 G126 V145 E146 P148 | V124-L158 HydrophobicContact CG2-CB 3.89Å; V124-L158 PolarHBondContact N-O 2.96Å; V124-L158 PolarHBondContact O-N 3.5Å; G126-L158 VanDerWaalsContact CA-CD1 3.5Å; V145-L158 HydrophobicContact CG1-CB 4.13Å; V145-L158 HydrophobicContact CG1-CD1 3.94Å; E146-L158 VanDerWaalsContact O-CD2 3.31Å; E146-L158 WeakPolarHBondContact O-CD2 3.28Å; P148-L158 VanDerWaalsContact CD-CD2 3.44Å; P148-L158 HydrophobicContact CG-CD2 3.61Å |
| 159 | G | 84.2 | Confident | 73.3 | Confident | 19 Ų | 19 | 79.7 Ų | 79.7 | 20% | 0.196 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 138.1 | 165 | 0 | 0 | 0 | 0 | 0 | 110 | V145 E146 | V145-G159 WeakPolarHBondContact CA-O 3.25Å; E146-G159 PolarHBondContact N-O 2.86Å |
| 160 | C | 89.2 | Confident | 74.1 | Confident | 2 Ų | 2 | 79.7 Ų | 79.7 | 1% | 0.014 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 126.3 | 177.7 | 173.9 | 0 | 0 | 0 | 0 | 109.2 | A120 P121 V124 C130 V144 | A120-C160 WeakPolarHBondContact CA-O 3.24Å; A120-C160 WeakPolarHBondContact CB-O 3.2Å; P121-C160 WeakPolarHBondContact CD-O 3.46Å; V124-C160 HydrophobicContact CG1-CB 3.9Å; V124-C160 HydrophobicContact CG2-CB 3.82Å; C130-C160 WeakPolarHBondContact CA-SG 3.31Å; C130-C160 HydrophobicContact CB-CB 3.84Å; C130-C160 WeakPolarHBondContact CB-SG 3.19Å; C130-C160 WeakPolarHBondContact SG-CB 3.4Å; C130-C160 CovalentContact SG-SG 2.03Å; C130-C160 PolarHBondContact SG-SG 3.04Å; V144-C160 WeakPolarHBondContact O-CA 3.21Å |
| 161 | Y | 91.1 | Very high | 75.2 | Confident | 78 Ų | 78 | 74.6 Ų | 74.6 | 31% | 0.306 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 122.6 | -174.9 | -53.4 | -85.8 | 0 | 0 | 0 | 109.8 | F117 A120 V144 E146 | F117-Y161 HydrophobicContact CE2-CD1 4.38Å; A120-Y161 HydrophobicContact CB-CD1 3.84Å; A120-Y161 HydrophobicContact CB-CE1 4.16Å; V144-Y161 PolarHBondContact N-O 2.91Å; V144-Y161 PolarHBondContact O-N 2.86Å; E146-Y161 HydrophobicContact CB-CE2 4.33Å; E146-Y161 PolarHBondContact OE2-OH 3.05Å |
| 162 | L | 91.6 | Very high | 77 | Confident | 4 Ų | 4 | 69.9 Ų | 69.9 | 2% | 0.021 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132 | -175.5 | -56.9 | -173.9 | 0 | 0 | 0 | 111.1 | F117 L118 R119 P121 A133 C134 A143 | F117-L162 WeakPolarHBondContact CD2-O 3.48Å; L118-L162 HydrophobicContact CB-CB 4.31Å; L118-L162 WeakPolarHBondContact CB-O 3.16Å; L118-L162 PolarHBondContact N-O 3.11Å; R119-L162 WeakPolarHBondContact O-CB 3.42Å; R119-L162 PolarHBondContact O-N 3.16Å; P121-L162 HydrophobicContact CG-CD1 3.76Å; P121-L162 HydrophobicContact CG-CG 4.03Å; A133-L162 HydrophobicContact CB-CD1 4.23Å; C134-L162 HydrophobicContact CB-CD2 3.87Å; A143-L162 HydrophobicContact CB-CD2 3.73Å |
| 163 | F | 92.3 | Very high | 79 | Confident | 13 Ų | 13 | 68.3 Ų | 68.3 | 6% | 0.057 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 144 | -178 | -65.9 | -93.6 | 0 | 0 | 0 | 111.4 | I105 T107 S116 F117 S141 V142 V144 | I105-F163 HydrophobicContact CD1-CB 4.28Å; I105-F163 HydrophobicContact CD1-CD1 3.84Å; I105-F163 HydrophobicContact CD1-CD2 4.26Å; I105-F163 HydrophobicContact CD1-CE1 4.18Å; I105-F163 HydrophobicContact CD1-CG 3.87Å; I105-F163 HydrophobicContact CG2-CD2 4.25Å; I105-F163 HydrophobicContact CG2-CE1 4.32Å; I105-F163 HydrophobicContact CG2-CE2 3.71Å; I105-F163 HydrophobicContact CG2-CZ 3.75Å; T107-F163 HydrophobicContact CG2-CE1 4.16Å; T107-F163 HydrophobicContact CG2-CZ 4.02Å; S116-F163 WeakPolarHBondContact O-CA 3.35Å; F117-F163 HydrophobicContact CB-CD1 4.08Å; F117-F163 HydrophobicContact CB-CE1 3.92Å; F117-F163 HydrophobicContact CD2-CD1 4.06Å; F117-F163 AromaticContact CD2-CE1 3.64Å; F117-F163 HydrophobicContact CD2-CE1 3.64Å; F117-F163 HydrophobicContact CD2-CE2 4.21Å; F117-F163 AromaticContact CD2-CZ 3.73Å; F117-F163 HydrophobicContact CD2-CZ 3.73Å; F117-F163 HydrophobicContact CE2-CZ 4.36Å; F117-F163 HydrophobicContact CG-CE1 4.24Å; S141-F163 PolarHBondContact N-O 2.86Å; V142-F163 HydrophobicContact CB-CB 4.48Å; V142-F163 PolarHBondContact N-O 3.36Å; V142-F163 PolarHBondContact O-N 3.05Å; V144-F163 HydrophobicContact CG2-CD2 4.11Å; V144-F163 HydrophobicContact CG2-CE2 4.06Å |
| 164 | N | 92.4 | Very high | 80.7 | Confident | 27 Ų | 27 | 69 Ų | 69 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 111.4 | 160.7 | -177.1 | 0.5 | 0 | 0 | 0 | 108.5 | A115 S116 L118 S139 T166 | A115-N164 CarbonylContact C-O 3.58Å; A115-N164 VanDerWaalsContact CA-O 3.28Å; A115-N164 WeakPolarHBondContact CA-O 3.24Å; A115-N164 WeakPolarHBondContact CB-O 3.4Å; S116-N164 PolarHBondContact N-O 3.02Å; S116-N164 PolarHBondContact O-N 3.17Å; L118-N164 HydrophobicContact CD1-CB 4.2Å; L118-N164 HydrophobicContact CD2-CB 4.08Å; L118-N164 HydrophobicContact CG-CB 4.25Å; S139-N164 WeakPolarHBondContact O-CB 3.36Å; S139-N164 PolarHBondContact O-OD1 2.81Å; N164-T166 PolarHBondContact OD1-N 2.96Å; N164-T166 PolarHBondContact OD1-OG1 2.8Å |
| 165 | C | 90 | Very high | 82.4 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | trans | -99.4 | 5.8 | 178.3 | -67 | 0 | 0 | 0 | 0 | 113 | S141 V142 N171 V172 C173 | S141-C165 WeakPolarHBondContact OG-CB 3.38Å; S141-C165 PolarHBondContact OG-N 2.74Å; V142-C165 HydrophobicContact CG2-CB 4Å; V142-C165 WeakPolarHBondContact CG2-SG 3.37Å; C165-N171 CarbonylContact O-C 3.54Å; C165-N171 WeakPolarHBondContact O-CA 3.37Å; C165-V172 WeakPolarHBondContact O-CG2 3.43Å; C165-V172 PolarHBondContact O-N 2.96Å; C165-C173 WeakPolarHBondContact CA-SG 3.28Å; C165-C173 HydrophobicContact CB-CB 3.62Å; C165-C173 WeakPolarHBondContact CB-SG 3.15Å; C165-C173 WeakPolarHBondContact SG-CB 3.34Å; C165-C173 CovalentContact SG-SG 2.01Å; C165-C173 PolarHBondContact SG-SG 2.84Å | ||
| 166 | T | 87.9 | Confident | 84 | Confident | 67 Ų | 67 | 63.1 Ų | 63.1 | 41% | 0.411 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 114.2 | -178.7 | 66.7 | 0 | 0 | 0 | 0 | 110.7 | N164 R170 | N164-T166 PolarHBondContact OD1-N 2.96Å; N164-T166 PolarHBondContact OD1-OG1 2.8Å; T166-R170 WeakPolarHBondContact CA-O 3.4Å |
| 167 | A | 83.4 | Confident | 85.5 | Confident | 22 Ų | 22 | 68.7 Ų | 68.7 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 126.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | G169 R170 V172 | A167-G169 PolarHBondContact O-N 3.13Å; A167-G169 VanDerWaalsContact O-N 3.13Å; A167-R170 PolarHBondContact N-O 3.5Å; A167-R170 PolarHBondContact O-N 2.99Å; A167-V172 HydrophobicContact CB-CB 4.42Å; A167-V172 HydrophobicContact CB-CG1 3.85Å; A167-V172 HydrophobicContact CB-CG2 3.69Å |
| 168 | R | 79.1 | Confident | 86.3 | Confident | 260 Ų | 260 | 66.7 Ų | 66.7 | 98% | 0.981 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 35.6 | -177.3 | -54.2 | -178.6 | -179.7 | -175.3 | -0.1 | 113.7 | ||
| 169 | G | 75.4 | Confident | 86.6 | Confident | 78 Ų | 78 | 75.5 Ų | 75.5 | 80% | 0.804 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 14.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | A167 | A167-G169 PolarHBondContact O-N 3.13Å; A167-G169 VanDerWaalsContact O-N 3.13Å |
| 170 | R | 79.4 | Confident | 86.5 | Confident | 198 Ų | 198 | 75.7 Ų | 75.7 | 75% | 0.747 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 152.5 | 175.6 | -61.5 | -173.4 | -179.1 | -158.6 | -0.4 | 111.4 | T166 A167 V172 | T166-R170 WeakPolarHBondContact CA-O 3.4Å; A167-R170 PolarHBondContact N-O 3.5Å; A167-R170 PolarHBondContact O-N 2.99Å; R170-V172 PolarHBondContact O-N 2.91Å |
| 171 | N | 85.1 | Confident | 86.3 | Confident | 133 Ų | 133 | 77.6 Ų | 77.6 | 71% | 0.711 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 119 | 171.8 | -67.9 | -34 | 0 | 0 | 0 | 109.7 | C165 | C165-N171 CarbonylContact O-C 3.54Å; C165-N171 WeakPolarHBondContact O-CA 3.37Å |
| 172 | V | 89.6 | Confident | 86.2 | Confident | 34 Ų | 34 | 74.5 Ų | 74.5 | 21% | 0.206 | 37% | 0.373 | C | S | . | . | trans | -112.7 | -4.1 | -177.3 | -65.6 | 0 | 0 | 0 | 0 | 114.6 | A113 A115 C165 A167 R170 | A113-V172 HydrophobicContact CB-CB 3.98Å; A113-V172 HydrophobicContact CB-CG2 4.49Å; A115-V172 HydrophobicContact CB-CG2 4.24Å; C165-V172 WeakPolarHBondContact O-CG2 3.43Å; C165-V172 PolarHBondContact O-N 2.96Å; A167-V172 HydrophobicContact CB-CB 4.42Å; A167-V172 HydrophobicContact CB-CG1 3.85Å; A167-V172 HydrophobicContact CB-CG2 3.69Å; R170-V172 PolarHBondContact O-N 2.91Å | ||
| 173 | C | 89.4 | Confident | 86.1 | Confident | 20 Ų | 20 | 74.5 Ų | 74.5 | 14% | 0.135 | 37% | 0.373 | C | S | . | . | trans | -70 | 136.7 | 177.4 | -74.5 | 0 | 0 | 0 | 0 | 112.2 | I105 S110 A115 C165 F175 | I105-C173 HydrophobicContact CD1-CB 4.01Å; I105-C173 WeakPolarHBondContact CD1-SG 3.36Å; I105-C173 HydrophobicContact CG1-CB 4.35Å; S110-C173 WeakPolarHBondContact OG-CA 3.27Å; A115-C173 VanDerWaalsContact CB-SG 3.57Å; C165-C173 WeakPolarHBondContact CA-SG 3.28Å; C165-C173 HydrophobicContact CB-CB 3.62Å; C165-C173 WeakPolarHBondContact CB-SG 3.15Å; C165-C173 WeakPolarHBondContact SG-CB 3.34Å; C165-C173 CovalentContact SG-SG 2.01Å; C165-C173 PolarHBondContact SG-SG 2.84Å; C173-F175 HydrophobicContact CB-CE2 4.14Å; C173-F175 HydrophobicContact CB-CZ 4.15Å | ||
| 174 | K | 90.1 | Very high | 85.9 | Confident | 113 Ų | 113 | 75 Ų | 75 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | trans | -105.7 | 139.6 | 174.3 | -61.1 | -174.7 | -176.5 | -179.5 | 0 | 109 | R106 D109 S110 | R106-K174 HydrophobicContact CB-CB 4.32Å; R106-K174 WeakPolarHBondContact CB-O 3.44Å; R106-K174 PolarHBondContact N-O 2.72Å; D109-K174 HydrophobicContact CB-CD 4.08Å; S110-K174 PolarHBondContact OG-N 3.42Å; S110-K174 PolarHBondContact OG-O 2.01Å | ||
| 175 | F | 90.6 | Very high | 85.7 | Confident | 69 Ų | 69 | 75.8 Ų | 75.8 | 30% | 0.303 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 159.5 | -179.7 | -61.6 | -87.2 | 0 | 0 | 0 | 111 | M100 I104 I105 V142 C173 | M100-F175 HydrophobicContact SD-CB 4.17Å; M100-F175 HydrophobicContact SD-CD1 4.5Å; M100-F175 HydrophobicContact SD-CD2 4.38Å; M100-F175 HydrophobicContact SD-CG 4.1Å; I104-F175 CarbonylContact O-C 3.59Å; I104-F175 VanDerWaalsContact O-CA 3.32Å; I104-F175 WeakPolarHBondContact O-CA 3.39Å; I105-F175 HydrophobicContact CB-CD1 4.37Å; I105-F175 HydrophobicContact CB-CE1 4.24Å; V142-F175 HydrophobicContact CG1-CE1 4.19Å; V142-F175 HydrophobicContact CG1-CZ 4.2Å; V142-F175 HydrophobicContact CG2-CZ 4.28Å; C173-F175 HydrophobicContact CB-CE2 4.14Å; C173-F175 HydrophobicContact CB-CZ 4.15Å |
| 176 | A | 86.7 | Confident | 85.4 | Confident | 39 Ų | 39 | 77 Ų | 77 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 147.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | A103 I104 R106 H178 | A103-A176 WeakPolarHBondContact CA-O 3.41Å; I104-A176 HydrophobicContact CG2-CB 4.38Å; I104-A176 PolarHBondContact N-O 3.07Å; I104-A176 PolarHBondContact O-N 2.93Å; R106-A176 HydrophobicContact CG-CB 3.81Å; A176-H178 PolarHBondContact O-N 3.22Å |
| 177 | L | 87.9 | Confident | 84.6 | Confident | 153 Ų | 153 | 77.4 Ų | 77.4 | 80% | 0.801 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 116.9 | 175.4 | -168.2 | 79.4 | 0 | 0 | 0 | 109.1 | D102 | D102-L177 HydrophobicContact CB-CD1 4.23Å; D102-L177 CarbonylContact O-C 3.48Å; D102-L177 WeakPolarHBondContact O-CA 3.42Å; D102-L177 WeakPolarHBondContact O-CD1 3.34Å |
| 178 | H | 81.7 | Confident | 83.8 | Confident | 49 Ų | 49 | 83.2 Ų | 83.2 | 23% | 0.227 | 41% | 0.412 | C | S | . | . | trans | -145.9 | 117 | 175.1 | -165.8 | -55.1 | 0 | 0 | 0 | 110.7 | D102 I104 A176 Y181 | D102-H178 CarbonylContact C-O 3.56Å; D102-H178 CarbonylContact O-C 3.47Å; D102-H178 PolarHBondContact O-N 2.68Å; I104-H178 HydrophobicContact CB-CB 4.17Å; I104-H178 HydrophobicContact CG2-CB 3.59Å; A176-H178 PolarHBondContact O-N 3.22Å; H178-Y181 AromaticContact ND1-CD2 3.83Å; H178-Y181 PolarHBondContact O-N 3.04Å | ||
| 179 | R | 81.1 | Confident | 82.6 | Confident | 206 Ų | 206 | 73.8 Ų | 73.8 | 78% | 0.777 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 139.5 | 177.9 | -69 | -177.7 | 177.6 | 175.6 | 0.4 | 111.8 | D102 | D102-R179 WeakPolarHBondContact OD1-CA 3.37Š|
| 180 | G | 82.1 | Confident | 81.4 | Confident | 24 Ų | 24 | 74.9 Ų | 74.9 | 25% | 0.247 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 7.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | D102 L147 | D102-G180 PolarHBondContact OD1-N 2.83Å; L147-G180 PolarHBondContact N-O 2.81Å |
| 181 | Y | 86.3 | Confident | 79.7 | Confident | 41 Ų | 41 | 73 Ų | 73 | 16% | 0.161 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 140.5 | 167.3 | -70.3 | -91.5 | 0 | 0 | 0 | 109.8 | D102 A103 I104 V144 V145 E146 H178 | D102-Y181 CarbonylContact C-O 3.54Å; D102-Y181 WeakPolarHBondContact CA-O 3.37Å; D102-Y181 PolarHBondContact N-O 3.15Å; D102-Y181 VanDerWaalsContact N-O 3.14Å; A103-Y181 PolarHBondContact N-O 2.64Å; I104-Y181 HydrophobicContact CB-CG 4.19Å; I104-Y181 HydrophobicContact CD1-CD1 3.86Å; I104-Y181 HydrophobicContact CD1-CD2 3.86Å; I104-Y181 HydrophobicContact CD1-CE1 3.89Å; I104-Y181 HydrophobicContact CD1-CE2 3.92Å; I104-Y181 HydrophobicContact CD1-CG 3.83Å; I104-Y181 HydrophobicContact CG1-CD1 4.13Å; I104-Y181 HydrophobicContact CG1-CD2 4.48Å; I104-Y181 HydrophobicContact CG1-CG 4.05Å; V144-Y181 HydrophobicContact CG1-CD1 4.12Å; V145-Y181 WeakPolarHBondContact O-CA 3.31Å; E146-Y181 HydrophobicContact CB-CD1 3.97Å; E146-Y181 HydrophobicContact CB-CE1 3.66Å; E146-Y181 HydrophobicContact CG-CD1 4.19Å; E146-Y181 HydrophobicContact CG-CE1 3.62Å; E146-Y181 PolarHBondContact OE1-OH 2.87Å; H178-Y181 AromaticContact ND1-CD2 3.83Å; H178-Y181 PolarHBondContact O-N 3.04Å |
| 182 | S | 87.8 | Confident | 78 | Confident | 14 Ų | 14 | 70.4 Ų | 70.4 | 10% | 0.098 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 134.7 | 170.3 | -67.6 | 0 | 0 | 0 | 0 | 109.3 | V145 | V145-S182 PolarHBondContact N-O 3.44Å; V145-S182 PolarHBondContact O-N 2.65Å |
| 183 | S | 90.4 | Very high | 75.7 | Confident | 3 Ų | 3 | 72.8 Ų | 72.8 | 2% | 0.021 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 144 | 177.7 | 47.9 | 0 | 0 | 0 | 0 | 111.3 | M100 A103 A143 | M100-S183 PolarHBondContact N-O 3.21Å; M100-S183 PolarHBondContact O-N 3.06Å; A103-S183 WeakPolarHBondContact O-CB 3.37Å; A103-S183 PolarHBondContact O-N 3.45Å; A103-S183 PolarHBondContact O-OG 2.71Å; A143-S183 CarbonylContact O-C 3.58Å; A143-S183 WeakPolarHBondContact O-CA 3.45Å |
| 184 | Y | 88.8 | Confident | 73.4 | Confident | 23 Ų | 23 | 76.3 Ų | 76.3 | 9% | 0.09 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 117.9 | -176.6 | -60.6 | -93.8 | 0 | 0 | 0 | 108 | Y97 S98 A99 W127 V131 V142 A143 V145 | Y97-Y184 HydrophobicContact CD2-CD1 4.16Å; S98-Y184 WeakPolarHBondContact O-CA 3.47Å; A99-Y184 HydrophobicContact CB-CD1 3.67Å; A99-Y184 HydrophobicContact CB-CE1 3.64Å; W127-Y184 HydrophobicContact CB-CE2 4.09Å; W127-Y184 WeakPolarHBondContact CB-OH 3.35Å; W127-Y184 HydrophobicContact CD2-CE1 4.25Å; W127-Y184 HydrophobicContact CE3-CD1 4.31Å; W127-Y184 AromaticContact CE3-CE1 3.58Å; W127-Y184 HydrophobicContact CE3-CE1 3.58Å; W127-Y184 AromaticContact CE3-CZ 3.75Å; W127-Y184 AromaticContact CZ3-CE1 4Å; W127-Y184 HydrophobicContact CZ3-CE1 4Å; V131-Y184 HydrophobicContact CG2-CD1 3.93Å; V131-Y184 HydrophobicContact CG2-CD2 4.09Å; V131-Y184 HydrophobicContact CG2-CG 3.68Å; V142-Y184 CarbonylContact C-O 3.58Å; V142-Y184 VanDerWaalsContact CA-O 3.28Å; V142-Y184 WeakPolarHBondContact CA-O 3.38Å; A143-Y184 PolarHBondContact N-O 2.75Å; A143-Y184 PolarHBondContact O-N 3.47Å; V145-Y184 HydrophobicContact CB-CE2 4.17Å; V145-Y184 HydrophobicContact CG2-CD2 3.99Å; V145-Y184 HydrophobicContact CG2-CE2 3.7Å |
| 185 | S | 88.3 | Confident | 71.4 | Confident | 45 Ų | 45 | 78.2 Ų | 78.2 | 32% | 0.315 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 135.8 | 178 | 59.5 | 0 | 0 | 0 | 0 | 110.6 | Y97 S98 S141 | Y97-S185 CarbonylContact C-O 3.57Å; Y97-S185 WeakPolarHBondContact CA-O 3.5Å; S98-S185 PolarHBondContact N-O 3.49Å; S98-S185 PolarHBondContact O-N 2.8Å; S98-S185 PolarHBondContact O-OG 3.34Å; S141-S185 CarbonylContact O-C 3.48Å; S141-S185 WeakPolarHBondContact O-CA 3.05Å |
| 186 | L | 83.3 | Confident | 68.9 | Low | 26 Ų | 26 | 79.3 Ų | 79.3 | 14% | 0.136 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129 | -179.4 | -77.2 | 70.3 | 0 | 0 | 0 | 110 | C134 S141 | C134-L186 HydrophobicContact CB-CD1 4.1Å; C134-L186 HydrophobicContact CB-CD2 4.14Å; C134-L186 VanDerWaalsContact SG-CD1 3.53Å; S141-L186 PolarHBondContact O-N 2.92Å |
| 187 | S | 70.1 | Confident | 66.9 | Low | 76 Ų | 76 | 82.9 Ų | 82.9 | 53% | 0.531 | 50% | 0.5 | S | S | . | . | trans | -97.9 | 88.9 | 171.6 | 50.3 | 0 | 0 | 0 | 0 | 110.2 | G95 G96 A189 | G95-S187 WeakPolarHBondContact CA-O 3.42Å; G96-S187 PolarHBondContact O-N 2.87Å; G96-S187 PolarHBondContact O-OG 2.83Å; S187-A189 PolarHBondContact O-N 2.87Å | ||
| 188 | R | 66.1 | Low | 64.7 | Low | 144 Ų | 144 | 79.3 Ų | 79.3 | 54% | 0.543 | 49% | 0.492 | S | S | . | . | trans | -78.9 | 110.5 | 172.4 | -139.1 | 174.9 | -157.3 | 116.2 | 7.5 | 108.8 | C135 | C135-R188 PolarHBondContact O-NH2 2.76Å; C135-R188 VanDerWaalsContact O-NH2 3.1Å | ||
| 189 | A | 53.9 | Low | 62.8 | Low | 61 Ų | 61 | 88.3 Ų | 88.3 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | trans | -64.4 | 130.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109 | S187 D191 | S187-A189 PolarHBondContact O-N 2.87Å; A189-D191 PolarHBondContact O-N 3.3Å | ||
| 190 | P | 50.2 | Low | 61 | Low | 101 Ų | 101 | 83.4 Ų | 83.4 | 66% | 0.656 | 53% | 0.528 | S | S | * | . | trans | -70.9 | 130.4 | 174.5 | 28.2 | -32.6 | 0 | 0 | 0 | 110 | G192 A193 | P190-G192 PolarHBondContact O-N 3.09Å; P190-G192 VanDerWaalsContact O-N 3.08Å; P190-A193 PolarHBondContact O-N 3.49Å | ||
| 191 | D | 44.8 | Very low | 59.2 | Low | 160 Ų | 160 | 86.4 Ų | 86.4 | 86% | 0.856 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 113.7 | 175.9 | -63 | -52.4 | 0 | 0 | 0 | 110.2 | A189 | A189-D191 PolarHBondContact O-N 3.3Š|
| 192 | G | 48.8 | Very low | 57.2 | Low | 78 Ų | 78 | 90.4 Ų | 90.4 | 80% | 0.804 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 124.7 | -4.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | P190 A194 | P190-G192 PolarHBondContact O-N 3.09Å; P190-G192 VanDerWaalsContact O-N 3.08Å; G192-A194 PolarHBondContact O-N 2.95Å; G192-A194 VanDerWaalsContact O-N 3.12Å |
| 193 | A | 42 | Very low | 55.4 | Low | 84 Ų | 84 | 100.6 Ų | 100.6 | 69% | 0.694 | 61% | 0.612 | S | S | * | * | trans | -73.8 | 100.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | P190 | P190-A193 PolarHBondContact O-N 3.49Š| ||
| 194 | A | 40.4 | Very low | 53.7 | Low | 93 Ų | 93 | 108.2 Ų | 108.2 | 77% | 0.769 | 65% | 0.652 | S | S | * | * | trans | -56.4 | 149.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G192 A196 | G192-A194 PolarHBondContact O-N 2.95Å; G192-A194 VanDerWaalsContact O-N 3.12Å; A194-A196 PolarHBondContact O-N 3.47Å | ||
| 195 | L | 48.5 | Very low | 52.4 | Low | 154 Ų | 154 | 115.6 Ų | 115.6 | 81% | 0.806 | 69% | 0.687 | S | S | * | * | trans | -57.9 | 85.2 | -174.7 | -170.1 | 81.9 | 0 | 0 | 0 | 113.4 | T197 | L195-T197 VanDerWaalsContact C-N 3.32Å; L195-T197 HydrophobicContact CD1-CG2 4.42Å; L195-T197 HydrophobicContact CD2-CG2 3.73Å; L195-T197 HydrophobicContact CG-CG2 3.83Å; L195-T197 PolarHBondContact O-N 3.24Å | ||
| 196 | A | 38.5 | Very low | 52 | Low | 91 Ų | 91 | 122.6 Ų | 122.6 | 75% | 0.752 | 71% | 0.712 | S | S | * | * | trans | -75.4 | 87.5 | 161 | 0 | 0 | 0 | 0 | 0 | 108.6 | A194 A198 | A194-A196 PolarHBondContact O-N 3.47Å; A196-A198 PolarHBondContact O-N 3.35Å | ||
| 197 | T | 43.7 | Very low | 52.1 | Low | 115 Ų | 115 | 122.7 Ų | 122.7 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | trans | -66 | 72.4 | 165.1 | 47.1 | 0 | 0 | 0 | 0 | 110.2 | L195 R199 | L195-T197 VanDerWaalsContact C-N 3.32Å; L195-T197 HydrophobicContact CD1-CG2 4.42Å; L195-T197 HydrophobicContact CD2-CG2 3.73Å; L195-T197 HydrophobicContact CG-CG2 3.83Å; L195-T197 PolarHBondContact O-N 3.24Å; T197-R199 VanDerWaalsContact C-N 3.32Å; T197-R199 PolarHBondContact O-N 3.17Å | ||
| 198 | A | 41.8 | Very low | 52.9 | Low | 78 Ų | 78 | 121.1 Ų | 121.1 | 65% | 0.645 | 70% | 0.704 | S | S | * | * | trans | -67.6 | 97.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107 | A196 A200 | A196-A198 PolarHBondContact O-N 3.35Å; A198-A200 PolarHBondContact O-N 2.82Å; A198-A200 VanDerWaalsContact O-N 3.09Å | ||
| 199 | R | 41.2 | Very low | 54 | Low | 237 Ų | 237 | 118.1 Ų | 118.1 | 89% | 0.894 | 70% | 0.704 | S | S | * | * | trans | -44.9 | 120.1 | 164.9 | -108.3 | 175.4 | 170.8 | 154.6 | -4.1 | 107.7 | T197 S201 | T197-R199 VanDerWaalsContact C-N 3.32Å; T197-R199 PolarHBondContact O-N 3.17Å; R199-S201 PolarHBondContact O-N 2.89Å | ||
| 200 | A | 43.3 | Very low | 55.9 | Low | 103 Ų | 103 | 115.4 Ų | 115.4 | 85% | 0.851 | 68% | 0.68 | S | S | * | * | trans | -70.8 | 80.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | A198 | A198-A200 PolarHBondContact O-N 2.82Å; A198-A200 VanDerWaalsContact O-N 3.09Å | ||
| 201 | S | 44.9 | Very low | 58 | Low | 88 Ų | 88 | 115.2 Ų | 115.2 | 62% | 0.615 | 67% | 0.673 | S | S | * | * | trans | -55.3 | 146 | 143 | -59.5 | 0 | 0 | 0 | 0 | 107.4 | R199 R203 | R199-S201 PolarHBondContact O-N 2.89Å; S201-R203 PolarHBondContact O-N 2.9Å | ||
| 202 | P | 45.4 | Very low | 60.4 | Low | 124 Ų | 124 | 108 Ų | 108 | 81% | 0.805 | 64% | 0.636 | S | S | * | * | trans | -55.6 | 116.5 | 170.3 | 25.1 | -32.9 | 0 | 0 | 0 | 107.3 | L204 | P202-L204 PolarHBondContact O-N 2.78Š| ||
| 203 | R | 49.4 | Very low | 62.7 | Low | 228 Ų | 228 | 107.5 Ų | 107.5 | 86% | 0.86 | 61% | 0.611 | S | S | * | * | trans | -66.7 | 107.7 | 167.4 | -71.4 | -177.7 | -179.8 | 164.7 | 1 | 104.6 | S201 E205 | S201-R203 PolarHBondContact O-N 2.9Å; R203-E205 PolarHBondContact O-N 3.34Å | ||
| 204 | L | 53.7 | Low | 65.1 | Low | 164 Ų | 164 | 103.5 Ų | 103.5 | 86% | 0.859 | 58% | 0.578 | S | S | * | * | trans | -51.3 | 113.2 | 152.5 | -74.1 | 161.6 | 0 | 0 | 0 | 104.9 | P202 K206 | P202-L204 PolarHBondContact O-N 2.78Å; L204-K206 VanDerWaalsContact C-N 3.31Å; L204-K206 PolarHBondContact O-N 2.94Å | ||
| 205 | E | 63 | Low | 67.6 | Low | 177 Ų | 177 | 101.4 Ų | 101.4 | 83% | 0.827 | 57% | 0.566 | S | S | * | * | trans | -59.1 | 104.6 | 168.4 | -89.7 | 173.4 | 139.9 | 0 | 0 | 105.9 | R203 D207 | R203-E205 PolarHBondContact O-N 3.34Å; E205-D207 PolarHBondContact O-N 3.34Å | ||
| 206 | K | 78.1 | Confident | 69.7 | Low | 192 Ų | 192 | 102.4 Ų | 102.4 | 84% | 0.835 | 57% | 0.566 | S | S | * | * | trans | -88.2 | 97.1 | -179.8 | -173.7 | -171.8 | 175.7 | -169.9 | 0 | 105.8 | L204 | L204-K206 VanDerWaalsContact C-N 3.31Å; L204-K206 PolarHBondContact O-N 2.94Å | ||
| 207 | D | 85.3 | Confident | 72.3 | Confident | 29 Ų | 29 | 103.3 Ų | 103.3 | 16% | 0.155 | 56% | 0.559 | C | S | . | * | trans | -41.1 | 134.3 | 171.8 | -163.9 | 11.8 | 0 | 0 | 0 | 111.2 | E205 H238 A284 Q286 | E205-D207 PolarHBondContact O-N 3.34Å; D207-H238 VanDerWaalsContact CG-ND1 3.33Å; D207-H238 IonicContact OD1-CE1 2.68Å; D207-H238 PolarHBondContact OD1-CE1 2.04Å; D207-H238 IonicContact OD1-CG 3.59Å; D207-H238 IonicContact OD1-ND1 3.36Å; D207-H238 PolarHBondContact OD1-ND1 3.23Å; D207-H238 IonicContact OD2-ND1 3.81Å; D207-A284 WeakPolarHBondContact OD2-CB 3.45Å; D207-Q286 VanDerWaalsContact CG-NE2 3.29Å; D207-Q286 PolarHBondContact OD2-NE2 2.96Å | ||
| 208 | A | 87.4 | Confident | 74.7 | Confident | 43 Ų | 43 | 99.7 Ų | 99.7 | 36% | 0.355 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -99.4 | 148.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | D237 Q286 | A208-D237 WeakPolarHBondContact CB-OD1 3.31Å; A208-D237 PolarHBondContact N-OD1 3.38Å; A208-D237 PolarHBondContact N-OD2 3.1Å; A208-Q286 PolarHBondContact O-NE2 3.38Å |
| 209 | P | 89.7 | Confident | 77.2 | Confident | 81 Ų | 81 | 100.2 Ų | 100.2 | 53% | 0.526 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 147.5 | 177 | 28.5 | -35.1 | 0 | 0 | 0 | 110.2 | Q286 | P209-Q286 HydrophobicContact CB-CB 4.18Š|
| 210 | P | 94.4 | Very high | 79.5 | Confident | 3 Ų | 3 | 89.8 Ų | 89.8 | 2% | 0.019 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 153.7 | -175.4 | 19.1 | -30.2 | 0 | 0 | 0 | 111.9 | D236 V280 D282 S288 | P210-D236 WeakPolarHBondContact CA-OD1 3.48Å; P210-D236 HydrophobicContact CB-CB 4.27Å; P210-D236 WeakPolarHBondContact CB-OD1 3.5Å; P210-V280 HydrophobicContact CB-CG1 4.08Å; P210-V280 HydrophobicContact CG-CG1 4.37Å; P210-D282 HydrophobicContact CG-CB 4.24Å; P210-S288 WeakPolarHBondContact O-CB 3.14Å; P210-S288 PolarHBondContact O-OG 2.89Å |
| 211 | L | 94.6 | Very high | 81.7 | Confident | 97 Ų | 97 | 88.9 Ų | 88.9 | 51% | 0.508 | 47% | 0.471 | S | S | . | . | B | Isolated β-bridge | trans | -96.9 | 95.2 | 169.4 | -178.8 | 62.8 | 0 | 0 | 0 | 109.3 | K213 S234 T235 | L211-K213 HydrophobicContact CG-CG 4.48Å; L211-S234 CarbonylContact O-C 3.51Å; L211-S234 WeakPolarHBondContact O-CA 3.32Å; L211-S234 WeakPolarHBondContact O-CB 2.91Å; L211-T235 WeakPolarHBondContact CA-O 3.48Å; L211-T235 WeakPolarHBondContact CB-O 3.44Å; L211-T235 PolarHBondContact N-O 3.27Å; L211-T235 PolarHBondContact O-N 2.88Å |
| 212 | S | 95.1 | Very high | 83.6 | Confident | 9 Ų | 9 | 87.4 Ų | 87.4 | 6% | 0.063 | 46% | 0.456 | C | S | . | . | trans | -65.8 | 137.2 | 171.1 | 49.8 | 0 | 0 | 0 | 0 | 111.2 | S288 S289 D290 | S212-S288 PolarHBondContact OG-OG 3.3Å; S212-S289 WeakPolarHBondContact OG-CA 3.43Å; S212-S289 PolarHBondContact OG-N 2.86Å; S212-S289 PolarHBondContact OG-O 3.33Å; S212-D290 PolarHBondContact OG-N 3.45Å | ||
| 213 | K | 95.4 | Very high | 85.6 | Confident | 67 Ų | 67 | 87.2 Ų | 87.2 | 29% | 0.291 | 46% | 0.455 | S | S | . | . | trans | -136.2 | 110.8 | 170.2 | -54.2 | -166.8 | -163.5 | 86.6 | 0 | 108.9 | L211 G231 E233 S234 T235 L278 D290 | L211-K213 HydrophobicContact CG-CG 4.48Å; K213-G231 VanDerWaalsContact O-CA 3.27Å; K213-G231 WeakPolarHBondContact O-CA 3.46Å; K213-E233 HydrophobicContact CB-CB 4.38Å; K213-E233 HydrophobicContact CD-CB 4.35Å; K213-E233 WeakPolarHBondContact CD-O 3.39Å; K213-E233 PolarHBondContact NZ-O 3.21Å; K213-S234 PolarHBondContact N-OG 3.3Å; K213-S234 PolarHBondContact O-OG 2.83Å; K213-T235 PolarHBondContact NZ-OG1 3.03Å; K213-T235 VanDerWaalsContact NZ-OG1 3.09Å; K213-L278 WeakPolarHBondContact O-CD2 2.99Å; K213-D290 WeakPolarHBondContact CA-OD2 3.38Å | ||
| 214 | A | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 44% | 0.438 | C | S | . | . | trans | -83.5 | -15 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | W245 L278 D290 V292 | A214-W245 HydrophobicContact CB-CH2 4.13Å; A214-W245 HydrophobicContact CB-CZ3 4.23Å; A214-L278 HydrophobicContact CB-CB 3.87Å; A214-L278 HydrophobicContact CB-CD2 4.4Å; A214-D290 HydrophobicContact CB-CB 4.11Å; A214-D290 PolarHBondContact N-OD2 3.43Å; A214-V292 HydrophobicContact CB-CB 3.86Å; A214-V292 HydrophobicContact CB-CG1 3.87Å | ||
| 215 | G | 92.4 | Very high | 89.2 | Confident | 50 Ų | 50 | 75.4 Ų | 75.4 | 52% | 0.515 | 41% | 0.413 | S | S | . | . | trans | 120.4 | -159 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 216 | Q | 93.1 | Very high | 90.6 | Very high | 174 Ų | 174 | 68.2 Ų | 68.2 | 81% | 0.813 | 39% | 0.386 | S | S | * | . | trans | -103 | 153.3 | 168.7 | -73.3 | 172.3 | 88.2 | 0 | 0 | 109.4 | V292 | Q216-V292 WeakPolarHBondContact O-CG2 3.39Š| ||
| 217 | D | 93.9 | Very high | 91.4 | Very high | 110 Ų | 110 | 60 Ų | 60 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | trans | -56.5 | 139 | 173.1 | -64.4 | -47.8 | 0 | 0 | 0 | 111.4 | S293 | D217-S293 CarbonylContact C-O 3.56Å; D217-S293 VanDerWaalsContact CA-O 3.31Å; D217-S293 WeakPolarHBondContact CA-O 3.2Å; D217-S293 WeakPolarHBondContact OD1-CA 3.24Å; D217-S293 WeakPolarHBondContact OD1-CB 3.16Å; D217-S293 PolarHBondContact OD1-N 2.96Å; D217-S293 PolarHBondContact OD1-OG 3.06Å | ||
| 218 | V | 93.8 | Very high | 91.9 | Very high | 40 Ų | 40 | 62.9 Ų | 62.9 | 24% | 0.242 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.3 | -177.4 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | L220 V227 L229 S293 V294 T295 | V218-L220 HydrophobicContact CG1-CD2 3.87Å; V218-L220 HydrophobicContact CG1-CG 4.27Å; V218-V227 HydrophobicContact CG1-CG2 4.06Å; V218-V227 HydrophobicContact CG2-CG2 4.3Å; V218-L229 HydrophobicContact CG2-CD2 4Å; V218-S293 PolarHBondContact N-O 3.47Å; V218-V294 HydrophobicContact CB-CG2 4.44Å; V218-V294 CarbonylContact O-C 3.56Å; V218-V294 WeakPolarHBondContact O-CA 3.11Å; V218-T295 PolarHBondContact O-N 2.9Å |
| 219 | V | 93.5 | Very high | 92.3 | Very high | 88 Ų | 88 | 61.1 Ų | 61.1 | 53% | 0.533 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 122.1 | 167.6 | -176 | 0 | 0 | 0 | 0 | 108.6 | T295 L297 | V219-T295 CarbonylContact C-O 3.37Å; V219-T295 WeakPolarHBondContact CA-O 3.36Å; V219-L297 HydrophobicContact CG1-CD1 3.69Å; V219-L297 HydrophobicContact CG1-CG 4.08Å |
| 220 | L | 90.9 | Very high | 92.4 | Very high | 18 Ų | 18 | 60.1 Ų | 60.1 | 9% | 0.094 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 150.6 | 172.4 | -59.2 | -179.6 | 0 | 0 | 0 | 109.6 | V218 T224 V227 L269 V294 T295 V296 L297 | V218-L220 HydrophobicContact CG1-CD2 3.87Å; V218-L220 HydrophobicContact CG1-CG 4.27Å; L220-T224 HydrophobicContact CD2-CG2 4.48Å; L220-V227 HydrophobicContact CD1-CB 4.05Å; L220-V227 HydrophobicContact CD1-CG1 4.15Å; L220-V227 HydrophobicContact CD2-CB 4.29Å; L220-L269 HydrophobicContact CD1-CD2 4.4Å; L220-V294 HydrophobicContact CD1-CG1 4.02Å; L220-V294 HydrophobicContact CG-CG1 4.23Å; L220-T295 PolarHBondContact N-O 3.25Å; L220-V296 HydrophobicContact CB-CG1 4.46Å; L220-V296 HydrophobicContact CB-CG2 4.24Å; L220-V296 HydrophobicContact CD1-CG2 4.16Å; L220-L297 PolarHBondContact O-N 2.82Å |
| 221 | H | 87.6 | Confident | 92.4 | Very high | 84 Ų | 84 | 60 Ų | 60 | 39% | 0.389 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131 | 166.5 | -73.6 | -86.5 | 0 | 0 | 0 | 108.8 | T224 L297 R298 | H221-T224 VanDerWaalsContact O-CB 3.31Å; H221-T224 WeakPolarHBondContact O-CB 3.35Å; H221-T224 PolarHBondContact O-N 3.23Å; H221-L297 WeakPolarHBondContact CA-O 3.36Å; H221-R298 PolarHBondContact ND1-O 3.48Å; H221-R298 VanDerWaalsContact ND1-O 3.11Å |
| 222 | L | 86.5 | Confident | 92.2 | Very high | 57 Ų | 57 | 61.5 Ų | 61.5 | 30% | 0.298 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 141.7 | 167.7 | -65 | 176.9 | 0 | 0 | 0 | 109.7 | V296 L297 A299 | L222-V296 HydrophobicContact CD2-CG1 4.04Å; L222-V296 HydrophobicContact CG-CG1 4.13Å; L222-L297 PolarHBondContact N-O 2.94Å; L222-L297 VanDerWaalsContact N-O 3.07Å; L222-A299 VanDerWaalsContact O-CA 3.24Å; L222-A299 WeakPolarHBondContact O-CA 3.39Å; L222-A299 WeakPolarHBondContact O-CB 3.27Å |
| 223 | P | 86.1 | Confident | 92.1 | Very high | 121 Ų | 121 | 68 Ų | 68 | 79% | 0.786 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -83.8 | 9.5 | 11.8 | 35 | -38.1 | 0 | 0 | 0 | 115.6 | D225 | P223-D225 PolarHBondContact O-N 3.43Å; P223-D225 VanDerWaalsContact O-N 3.14Å |
| 224 | T | 89.1 | Confident | 92 | Very high | 80 Ų | 80 | 65.2 Ų | 65.2 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | trans | -77.5 | 100.4 | 176.8 | -51.3 | 0 | 0 | 0 | 0 | 110.5 | L220 H221 | L220-T224 HydrophobicContact CD2-CG2 4.48Å; H221-T224 VanDerWaalsContact O-CB 3.31Å; H221-T224 WeakPolarHBondContact O-CB 3.35Å; H221-T224 PolarHBondContact O-N 3.23Å | ||
| 225 | D | 90.7 | Very high | 91.9 | Very high | 63 Ų | 63 | 68.6 Ų | 68.6 | 34% | 0.337 | 38% | 0.382 | S | S | . | . | trans | -103.6 | 16.4 | -173.4 | 75.3 | -42.1 | 0 | 0 | 0 | 113.7 | P223 S267 H268 L269 | P223-D225 PolarHBondContact O-N 3.43Å; P223-D225 VanDerWaalsContact O-N 3.14Å; D225-S267 CarbonylContact O-C 3.54Å; D225-H268 PolarHBondContact O-N 3.42Å; D225-H268 VanDerWaalsContact OD2-CA 3.25Å; D225-H268 WeakPolarHBondContact OD2-CA 3.47Å; D225-H268 IonicContact OD2-CD2 3.4Å; D225-H268 PolarHBondContact OD2-CD2 3.4Å; D225-H268 PolarHBondContact OD2-N 2.97Å; D225-H268 VanDerWaalsContact OD2-N 3.16Å; D225-L269 WeakPolarHBondContact O-CD1 3.45Å; D225-L269 PolarHBondContact O-N 3.26Å | ||
| 226 | G | 92.3 | Very high | 91.9 | Very high | 26 Ų | 26 | 68.1 Ų | 68.1 | 27% | 0.268 | 37% | 0.368 | S | S | . | . | trans | -149.9 | 145.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L266 | G226-L266 VanDerWaalsContact CA-O 3.22Å; G226-L266 WeakPolarHBondContact CA-O 3.3Å | ||
| 227 | V | 95.2 | Very high | 91.7 | Very high | 21 Ų | 21 | 64.2 Ų | 64.2 | 13% | 0.127 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 157.2 | -177.2 | 60.9 | 0 | 0 | 0 | 0 | 110.4 | V218 L220 L229 L266 L269 V294 | V218-V227 HydrophobicContact CG1-CG2 4.06Å; V218-V227 HydrophobicContact CG2-CG2 4.3Å; L220-V227 HydrophobicContact CD1-CB 4.05Å; L220-V227 HydrophobicContact CD1-CG1 4.15Å; L220-V227 HydrophobicContact CD2-CB 4.29Å; V227-L229 HydrophobicContact CG2-CD2 4.42Å; V227-L266 HydrophobicContact CG1-CB 4Å; V227-L266 HydrophobicContact CG1-CD1 3.81Å; V227-L266 HydrophobicContact CG1-CG 4.35Å; V227-L266 PolarHBondContact N-O 3.28Å; V227-L266 VanDerWaalsContact N-O 3.11Å; V227-L266 PolarHBondContact O-N 3.44Å; V227-L269 HydrophobicContact CG1-CD1 4.49Å; V227-V294 HydrophobicContact CG1-CG1 4.16Å; V227-V294 HydrophobicContact CG1-CG2 4.39Å |
| 228 | V | 95.1 | Very high | 91.1 | Very high | 88 Ų | 88 | 63.7 Ų | 63.7 | 53% | 0.533 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121.8 | 167.9 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | L264 K265 | V228-L264 CarbonylContact C-O 3.55Å; V228-L264 WeakPolarHBondContact CA-O 3.28Å; V228-K265 HydrophobicContact CG2-CB 4.16Å; V228-K265 HydrophobicContact CG2-CD 4.44Å; V228-K265 HydrophobicContact CG2-CG 4.07Å |
| 229 | L | 94.9 | Very high | 90.8 | Very high | 6 Ų | 6 | 63.9 Ų | 63.9 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 139.1 | 171.9 | -58.1 | 173.1 | 0 | 0 | 0 | 108.8 | V218 V227 W245 T263 L264 L266 F276 V292 V294 | V218-L229 HydrophobicContact CG2-CD2 4Å; V227-L229 HydrophobicContact CG2-CD2 4.42Å; L229-W245 HydrophobicContact CB-CH2 3.93Å; L229-W245 HydrophobicContact CB-CZ2 4.35Å; L229-W245 HydrophobicContact CB-CZ3 4.43Å; L229-W245 HydrophobicContact CD1-CZ3 4.36Å; L229-T263 WeakPolarHBondContact O-CA 3.06Å; L229-L264 HydrophobicContact CB-CB 4.41Å; L229-L264 HydrophobicContact CD1-CD2 4.24Å; L229-L264 PolarHBondContact N-O 3.33Å; L229-L264 PolarHBondContact O-N 3.08Å; L229-L266 HydrophobicContact CD1-CD1 3.82Å; L229-L266 HydrophobicContact CG-CD1 4.38Å; L229-F276 HydrophobicContact CD1-CB 4.29Å; L229-F276 HydrophobicContact CD1-CD2 3.88Å; L229-F276 HydrophobicContact CD1-CG 4.14Å; L229-V292 HydrophobicContact CD1-CG1 3.8Å; L229-V292 HydrophobicContact CD2-CG1 4.37Å; L229-V292 HydrophobicContact CD2-CG2 4.27Å; L229-V294 HydrophobicContact CD1-CG2 4.11Å; L229-V294 HydrophobicContact CD2-CG2 4.02Å |
| 230 | D | 93.3 | Very high | 90.7 | Very high | 61 Ų | 61 | 61.3 Ų | 61.3 | 33% | 0.326 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 107 | -174.3 | -166.3 | -6.2 | 0 | 0 | 0 | 111.1 | R232 | D230-R232 VanDerWaalsContact OD1-CB 3.24Å; D230-R232 WeakPolarHBondContact OD1-CB 3.27Å; D230-R232 WeakPolarHBondContact OD1-CG 3.49Å; D230-R232 IonicContact OD1-CZ 2.71Å; D230-R232 PolarHBondContact OD1-N 2.98Å; D230-R232 IonicContact OD1-NE 3.96Å; D230-R232 PolarHBondContact OD1-NE 3.01Å; D230-R232 IonicContact OD1-NH2 3.18Å; D230-R232 IonicContact OD2-CZ 2.63Å; D230-R232 IonicContact OD2-NE 3.72Å; D230-R232 PolarHBondContact OD2-NE 3.49Å; D230-R232 IonicContact OD2-NH2 2.79Å; D230-R232 PolarHBondContact OD2-NH2 3.05Å |
| 231 | G | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | trans | -91.3 | 1.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K213 E233 S234 G262 | K213-G231 VanDerWaalsContact O-CA 3.27Å; K213-G231 WeakPolarHBondContact O-CA 3.46Å; G231-E233 PolarHBondContact O-N 2.83Å; G231-S234 VanDerWaalsContact O-CB 3.3Å; G231-S234 WeakPolarHBondContact O-CB 3.4Å; G231-S234 PolarHBondContact O-N 3.28Å; G231-S234 PolarHBondContact O-OG 3.28Å; G231-G262 VanDerWaalsContact CA-O 3.28Å; G231-G262 WeakPolarHBondContact CA-O 3.5Å; G231-G262 PolarHBondContact N-O 3.49Å | ||
| 232 | R | 91.8 | Very high | 91 | Very high | 129 Ų | 129 | 64.2 Ų | 64.2 | 49% | 0.487 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -5.6 | -173.2 | -61.1 | 175.4 | -61.7 | 169.5 | 7.4 | 114.1 | D230 S234 T263 | D230-R232 VanDerWaalsContact OD1-CB 3.24Å; D230-R232 WeakPolarHBondContact OD1-CB 3.27Å; D230-R232 WeakPolarHBondContact OD1-CG 3.49Å; D230-R232 IonicContact OD1-CZ 2.71Å; D230-R232 PolarHBondContact OD1-N 2.98Å; D230-R232 IonicContact OD1-NE 3.96Å; D230-R232 PolarHBondContact OD1-NE 3.01Å; D230-R232 IonicContact OD1-NH2 3.18Å; D230-R232 IonicContact OD2-CZ 2.63Å; D230-R232 IonicContact OD2-NE 3.72Å; D230-R232 PolarHBondContact OD2-NE 3.49Å; D230-R232 IonicContact OD2-NH2 2.79Å; D230-R232 PolarHBondContact OD2-NH2 3.05Å; R232-S234 PolarHBondContact O-N 3.41Å; R232-T263 HydrophobicContact CG-CG2 4.25Å |
| 233 | E | 92.3 | Very high | 91.4 | Very high | 145 Ų | 145 | 64 Ų | 64 | 68% | 0.678 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -0.7 | 166.6 | -65.7 | -158.5 | 178.4 | 0 | 0 | 113 | K213 G231 | K213-E233 HydrophobicContact CB-CB 4.38Å; K213-E233 HydrophobicContact CD-CB 4.35Å; K213-E233 WeakPolarHBondContact CD-O 3.39Å; K213-E233 PolarHBondContact NZ-O 3.21Å; G231-E233 PolarHBondContact O-N 2.83Å |
| 234 | S | 93.8 | Very high | 91.8 | Very high | 8 Ų | 8 | 63 Ų | 63 | 6% | 0.056 | 33% | 0.334 | C | S | . | . | trans | -61.2 | 142.7 | 169.2 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | L211 K213 G231 R232 | L211-S234 CarbonylContact O-C 3.51Å; L211-S234 WeakPolarHBondContact O-CA 3.32Å; L211-S234 WeakPolarHBondContact O-CB 2.91Å; K213-S234 PolarHBondContact N-OG 3.3Å; K213-S234 PolarHBondContact O-OG 2.83Å; G231-S234 VanDerWaalsContact O-CB 3.3Å; G231-S234 WeakPolarHBondContact O-CB 3.4Å; G231-S234 PolarHBondContact O-N 3.28Å; G231-S234 PolarHBondContact O-OG 3.28Å; R232-S234 PolarHBondContact O-N 3.41Å | ||
| 235 | T | 90.6 | Very high | 92.1 | Very high | 71 Ų | 71 | 60.5 Ų | 60.5 | 44% | 0.436 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -139.5 | 144.4 | -170.5 | 46.4 | 0 | 0 | 0 | 0 | 111.8 | L211 K213 | L211-T235 WeakPolarHBondContact CA-O 3.48Å; L211-T235 WeakPolarHBondContact CB-O 3.44Å; L211-T235 PolarHBondContact N-O 3.27Å; L211-T235 PolarHBondContact O-N 2.88Å; K213-T235 PolarHBondContact NZ-OG1 3.03Å; K213-T235 VanDerWaalsContact NZ-OG1 3.09Å |
| 236 | D | 92.3 | Very high | 92.3 | Very high | 40 Ų | 40 | 59.5 Ų | 59.5 | 21% | 0.214 | 32% | 0.316 | C | S | . | . | trans | -144 | 158.2 | -174.3 | -172.1 | 73.1 | 0 | 0 | 0 | 109.5 | P210 H238 A239 I240 D282 | P210-D236 WeakPolarHBondContact CA-OD1 3.48Å; P210-D236 HydrophobicContact CB-CB 4.27Å; P210-D236 WeakPolarHBondContact CB-OD1 3.5Å; D236-H238 PolarHBondContact OD2-N 3.14Å; D236-A239 PolarHBondContact OD2-N 2.73Å; D236-I240 HydrophobicContact CB-CD1 4.29Å; D236-I240 HydrophobicContact CB-CG1 3.67Å; D236-D282 WeakPolarHBondContact OD1-CB 3.17Å | ||
| 237 | D | 88.8 | Confident | 92.5 | Very high | 93 Ų | 93 | 60.6 Ų | 60.6 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -81.7 | -25.5 | 177.7 | 48.3 | -56 | 0 | 0 | 0 | 114.2 | A208 | A208-D237 WeakPolarHBondContact CB-OD1 3.31Å; A208-D237 PolarHBondContact N-OD1 3.38Å; A208-D237 PolarHBondContact N-OD2 3.1Å |
| 238 | H | 81.9 | Confident | 92.5 | Very high | 98 Ų | 98 | 64.1 Ų | 64.1 | 45% | 0.454 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -105.6 | -72.9 | 177.7 | -68.8 | 87.3 | 0 | 0 | 0 | 111.9 | D207 D236 T283 | D207-H238 VanDerWaalsContact CG-ND1 3.33Å; D207-H238 IonicContact OD1-CE1 2.68Å; D207-H238 PolarHBondContact OD1-CE1 2.04Å; D207-H238 IonicContact OD1-CG 3.59Å; D207-H238 IonicContact OD1-ND1 3.36Å; D207-H238 PolarHBondContact OD1-ND1 3.23Å; D207-H238 IonicContact OD2-ND1 3.81Å; D236-H238 PolarHBondContact OD2-N 3.14Å; H238-T283 WeakPolarHBondContact CB-OG1 3.47Å |
| 239 | A | 86.8 | Confident | 92.4 | Very high | 45 Ų | 45 | 65.8 Ų | 65.8 | 37% | 0.372 | 34% | 0.335 | S | S | . | . | trans | -174.3 | 139.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | D236 D282 T283 | D236-A239 PolarHBondContact OD2-N 2.73Å; A239-D282 CarbonylContact O-C 3.57Å; A239-D282 WeakPolarHBondContact O-CA 3.27Å; A239-T283 HydrophobicContact CB-CG2 3.96Å; A239-T283 PolarHBondContact O-N 3.06Å | ||
| 240 | I | 92.6 | Very high | 92.3 | Very high | 34 Ų | 34 | 67.2 Ų | 67.2 | 17% | 0.174 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 123.7 | 168.7 | -62.9 | 166.6 | 0 | 0 | 0 | 109.8 | D236 Y243 V280 | D236-I240 HydrophobicContact CB-CD1 4.29Å; D236-I240 HydrophobicContact CB-CG1 3.67Å; I240-Y243 HydrophobicContact CB-CE2 4.25Å; I240-Y243 HydrophobicContact CD1-CE1 4.5Å; I240-Y243 WeakPolarHBondContact CD1-OH 3.37Å; I240-Y243 HydrophobicContact CG2-CD2 3.89Å; I240-Y243 HydrophobicContact CG2-CE1 4.18Å; I240-Y243 HydrophobicContact CG2-CE2 3.34Å; I240-V280 HydrophobicContact CB-CG1 4.17Å; I240-V280 HydrophobicContact CD1-CG1 3.67Å; I240-V280 HydrophobicContact CG1-CG1 3.7Å; I240-V280 HydrophobicContact CG2-CG1 3.38Å |
| 241 | V | 91.6 | Very high | 92.1 | Very high | 80 Ų | 80 | 67.5 Ų | 67.5 | 49% | 0.485 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -28.9 | 178.3 | -56.2 | 0 | 0 | 0 | 0 | 113.5 | M281 D282 T283 | V241-M281 HydrophobicContact CG2-CB 4.47Å; V241-M281 HydrophobicContact CG2-CE 3.74Å; V241-M281 HydrophobicContact CG2-CG 4.48Å; V241-M281 PolarHBondContact N-O 3.35Å; V241-D282 WeakPolarHBondContact CG2-O 3.36Å; V241-T283 HydrophobicContact CG1-CG2 3.48Å; V241-T283 VanDerWaalsContact CG1-CG2 3.48Å |
| 242 | Q | 92.6 | Very high | 91.9 | Very high | 83 Ų | 83 | 73 Ų | 73 | 39% | 0.388 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 141.1 | -174.1 | -169.2 | 176.7 | 2 | 0 | 0 | 112.1 | V280 M281 | Q242-V280 WeakPolarHBondContact O-CA 3.48Å; Q242-M281 HydrophobicContact CB-CB 4.15Å; Q242-M281 HydrophobicContact CB-CE 4.1Å; Q242-M281 PolarHBondContact N-O 2.9Å; Q242-M281 PolarHBondContact O-N 3.05Å; Q242-M281 VanDerWaalsContact OE1-CE 3.26Å |
| 243 | Y | 95.2 | Very high | 91.7 | Very high | 53 Ų | 53 | 70.1 Ų | 70.1 | 21% | 0.208 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130.7 | 168.8 | -62.3 | -104.4 | 0 | 0 | 0 | 107.8 | I240 S261 G262 L278 V280 | I240-Y243 HydrophobicContact CB-CE2 4.25Å; I240-Y243 HydrophobicContact CD1-CE1 4.5Å; I240-Y243 WeakPolarHBondContact CD1-OH 3.37Å; I240-Y243 HydrophobicContact CG2-CD2 3.89Å; I240-Y243 HydrophobicContact CG2-CE1 4.18Å; I240-Y243 HydrophobicContact CG2-CE2 3.34Å; Y243-S261 WeakPolarHBondContact CD2-OG 3.4Å; Y243-G262 VanDerWaalsContact CD1-CA 3.46Å; Y243-G262 VanDerWaalsContact CG-CA 3.46Å; Y243-L278 HydrophobicContact CD1-CD1 4.12Å; Y243-V280 HydrophobicContact CD1-CG2 4.11Å; Y243-V280 HydrophobicContact CE1-CG1 4.5Å; Y243-V280 HydrophobicContact CE1-CG2 4.4Å |
| 244 | E | 94.9 | Very high | 91.7 | Very high | 98 Ų | 98 | 63.8 Ų | 63.8 | 46% | 0.458 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 133.6 | -178.7 | -178.9 | 170.2 | -161.9 | 0 | 0 | 108.8 | L278 T279 | E244-L278 CarbonylContact O-C 3.34Å; E244-T279 PolarHBondContact N-O 3.45Å; E244-T279 PolarHBondContact O-N 3.43Å |
| 245 | W | 95.8 | Very high | 91.6 | Very high | 29 Ų | 29 | 65.5 Ų | 65.5 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.2 | -179.2 | -75.4 | 99.3 | 0 | 0 | 0 | 110.4 | A214 L229 G262 L264 F276 Q277 L278 V292 | A214-W245 HydrophobicContact CB-CH2 4.13Å; A214-W245 HydrophobicContact CB-CZ3 4.23Å; L229-W245 HydrophobicContact CB-CH2 3.93Å; L229-W245 HydrophobicContact CB-CZ2 4.35Å; L229-W245 HydrophobicContact CB-CZ3 4.43Å; L229-W245 HydrophobicContact CD1-CZ3 4.36Å; W245-G262 PolarHBondContact NE1-O 2.78Å; W245-L264 HydrophobicContact CB-CD1 4.44Å; W245-L264 HydrophobicContact CB-CD2 3.95Å; W245-L264 HydrophobicContact CD2-CB 3.8Å; W245-L264 HydrophobicContact CD2-CD2 3.79Å; W245-L264 HydrophobicContact CD2-CG 4.41Å; W245-L264 HydrophobicContact CE3-CB 4.42Å; W245-L264 HydrophobicContact CE3-CD2 3.77Å; W245-L264 HydrophobicContact CG-CB 3.88Å; W245-L264 HydrophobicContact CG-CD2 3.92Å; W245-L264 HydrophobicContact CG-CG 4.35Å; W245-L264 HydrophobicContact CZ2-CB 4.28Å; W245-L264 HydrophobicContact CZ3-CD2 4.47Å; W245-F276 HydrophobicContact CE3-CB 4.28Å; W245-F276 HydrophobicContact CZ3-CB 4.34Å; W245-Q277 WeakPolarHBondContact CA-O 3.3Å; W245-L278 HydrophobicContact CD2-CB 4.26Å; W245-L278 HydrophobicContact CD2-CD1 4.01Å; W245-L278 HydrophobicContact CE3-CB 3.93Å; W245-L278 HydrophobicContact CG-CD1 4.41Å; W245-L278 HydrophobicContact CH2-CB 3.91Å; W245-L278 HydrophobicContact CH2-CD2 4.44Å; W245-L278 HydrophobicContact CZ2-CB 4.22Å; W245-L278 HydrophobicContact CZ2-CD1 3.97Å; W245-L278 HydrophobicContact CZ2-CD2 4.31Å; W245-L278 HydrophobicContact CZ2-CG 4.39Å; W245-L278 HydrophobicContact CZ3-CB 3.75Å; W245-V292 HydrophobicContact CH2-CG1 4.4Å; W245-V292 HydrophobicContact CZ3-CG1 3.93Å |
| 246 | A | 94.6 | Very high | 91.8 | Very high | 41 Ų | 41 | 65.3 Ų | 65.3 | 34% | 0.339 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 138.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | F276 Q277 | A246-F276 CarbonylContact O-C 3.58Å; A246-F276 WeakPolarHBondContact O-CA 3.28Å; A246-Q277 PolarHBondContact N-O 3.4Å; A246-Q277 PolarHBondContact O-N 2.97Å |
| 247 | L | 95.6 | Very high | 91.8 | Very high | 49 Ų | 49 | 68.8 Ų | 68.8 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 118 | 166.4 | 178.3 | 71.1 | 0 | 0 | 0 | 108.5 | Q249 V254 M256 Y274 F276 | L247-Q249 WeakPolarHBondContact CD1-O 3.41Å; L247-V254 HydrophobicContact CD2-CG1 3.97Å; L247-M256 HydrophobicContact CB-SD 3.99Å; L247-Y274 HydrophobicContact CD1-CD1 4.18Å; L247-F276 HydrophobicContact CB-CD1 4.32Å; L247-F276 HydrophobicContact CB-CE1 4.22Å; L247-F276 HydrophobicContact CD1-CD1 3.94Å; L247-F276 HydrophobicContact CD1-CE1 3.46Å; L247-F276 VanDerWaalsContact CD1-CE1 3.46Å; L247-F276 HydrophobicContact CD1-CE2 4.45Å; L247-F276 HydrophobicContact CD1-CZ 3.73Å; L247-F276 HydrophobicContact CG-CE1 4.41Å |
| 248 | L | 94.8 | Very high | 92 | Very high | 96 Ų | 96 | 68.8 Ų | 68.8 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -36.5 | 175.5 | -65.5 | -174.1 | 0 | 0 | 0 | 112.5 | T275 Q277 | L248-T275 PolarHBondContact N-O 2.97Å; L248-Q277 HydrophobicContact CD1-CB 3.77Å; L248-Q277 HydrophobicContact CD2-CB 4.25Å; L248-Q277 HydrophobicContact CG-CB 3.82Å |
| 249 | Q | 94 | Very high | 92.2 | Very high | 122 Ų | 122 | 68.1 Ų | 68.1 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 140.4 | -176.2 | -174.4 | 179 | 31.7 | 0 | 0 | 109.7 | L247 Y274 T275 | L247-Q249 WeakPolarHBondContact CD1-O 3.41Å; Q249-Y274 CarbonylContact O-C 3.54Å; Q249-Y274 VanDerWaalsContact O-CA 3.25Å; Q249-Y274 WeakPolarHBondContact O-CA 3.41Å; Q249-T275 PolarHBondContact N-O 3.4Å; Q249-T275 PolarHBondContact O-N 2.96Å; Q249-T275 PolarHBondContact OE1-OG1 3.17Å |
| 250 | G | 92.2 | Very high | 92.3 | Very high | 36 Ų | 36 | 71.7 Ų | 71.7 | 37% | 0.371 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 133.3 | -179.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 251 | D | 90.1 | Very high | 92.1 | Very high | 68 Ų | 68 | 73.8 Ų | 73.8 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | trans | -73.4 | 125.9 | 174.1 | -167.6 | -54.6 | 0 | 0 | 0 | 110.4 | S253 V254 Y274 | D251-S253 VanDerWaalsContact CG-OG 3.29Å; D251-S253 PolarHBondContact O-N 2.85Å; D251-S253 WeakPolarHBondContact OD1-CB 3.36Å; D251-S253 PolarHBondContact OD1-N 2.86Å; D251-S253 PolarHBondContact OD1-OG 2.91Å; D251-V254 WeakPolarHBondContact O-CG1 3.48Å; D251-V254 PolarHBondContact O-N 3.1Å; D251-Y274 HydrophobicContact CB-CE1 4.08Å | ||
| 252 | P | 88.6 | Confident | 92 | Very high | 114 Ų | 114 | 70 Ų | 70 | 74% | 0.74 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -3.4 | -178.7 | 31.7 | -37.2 | 0 | 0 | 0 | 114.5 | V254 | P252-V254 PolarHBondContact O-N 2.84Š|
| 253 | S | 86.1 | Confident | 92 | Very high | 70 Ų | 70 | 66.3 Ų | 66.3 | 49% | 0.49 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -5.1 | 173.8 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | D251 | D251-S253 VanDerWaalsContact CG-OG 3.29Å; D251-S253 PolarHBondContact O-N 2.85Å; D251-S253 WeakPolarHBondContact OD1-CB 3.36Å; D251-S253 PolarHBondContact OD1-N 2.86Å; D251-S253 PolarHBondContact OD1-OG 2.91Å |
| 254 | V | 92.3 | Very high | 92 | Very high | 12 Ų | 12 | 63.9 Ų | 63.9 | 7% | 0.073 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -61.3 | 132.2 | 175.9 | 64.9 | 0 | 0 | 0 | 0 | 112 | L247 D251 P252 M256 L266 L269 Y274 | L247-V254 HydrophobicContact CD2-CG1 3.97Å; D251-V254 WeakPolarHBondContact O-CG1 3.48Å; D251-V254 PolarHBondContact O-N 3.1Å; P252-V254 PolarHBondContact O-N 2.84Å; V254-M256 HydrophobicContact CG1-CG 4.2Å; V254-M256 PolarHBondContact O-N 3.26Å; V254-L266 HydrophobicContact CG2-CB 4.43Å; V254-L266 HydrophobicContact CG2-CD2 4.17Å; V254-L269 HydrophobicContact CG2-CD1 4.42Å; V254-L269 HydrophobicContact CG2-CG 3.99Å; V254-Y274 HydrophobicContact CB-CE1 4.21Å; V254-Y274 HydrophobicContact CG1-CE1 4.45Å |
| 255 | D | 92.4 | Very high | 92 | Very high | 43 Ų | 43 | 64.1 Ų | 64.1 | 23% | 0.23 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 104.8 | -179.5 | 174.8 | 39.1 | 0 | 0 | 0 | 110.5 | K257 L266 S267 | D255-K257 VanDerWaalsContact CG-NZ 3.29Å; D255-K257 WeakPolarHBondContact OD1-CE 3.2Å; D255-K257 IonicContact OD1-NZ 2.76Å; D255-K257 PolarHBondContact OD1-NZ 2.79Å; D255-K257 VanDerWaalsContact OD1-NZ 3.15Å; D255-K257 WeakPolarHBondContact OD2-CE 3.39Å; D255-K257 IonicContact OD2-NZ 3.4Å; D255-K257 PolarHBondContact OD2-NZ 3.35Å; D255-L266 WeakPolarHBondContact O-CA 3.35Å; D255-S267 PolarHBondContact N-O 2.83Å; D255-S267 VanDerWaalsContact N-O 3.13Å; D255-S267 PolarHBondContact O-N 2.81Å; D255-S267 VanDerWaalsContact O-N 3.17Å; D255-S267 PolarHBondContact OD2-OG 3.12Å |
| 256 | M | 94.4 | Very high | 92 | Very high | 68 Ų | 68 | 62.8 Ų | 62.8 | 34% | 0.335 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 115 | -178.8 | -66 | -179.9 | 70.7 | 0 | 0 | 111.4 | L247 V254 L264 L266 F276 | L247-M256 HydrophobicContact CB-SD 3.99Å; V254-M256 HydrophobicContact CG1-CG 4.2Å; V254-M256 PolarHBondContact O-N 3.26Å; M256-L264 HydrophobicContact CB-CD1 4.07Å; M256-L264 HydrophobicContact CE-CD1 4.04Å; M256-L264 HydrophobicContact CE-CD2 3.93Å; M256-L264 HydrophobicContact CG-CD1 4.5Å; M256-L266 HydrophobicContact CB-CD2 4.44Å; M256-L266 HydrophobicContact CG-CD2 3.73Å; M256-F276 HydrophobicContact CE-CD1 4Å; M256-F276 HydrophobicContact CE-CE1 4.09Å; M256-F276 HydrophobicContact CG-CE1 4.48Å; M256-F276 HydrophobicContact SD-CE1 4.18Å |
| 257 | K | 92.9 | Very high | 92 | Very high | 113 Ų | 113 | 61.8 Ų | 61.8 | 49% | 0.491 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131.8 | 179.1 | -77 | 165.4 | 178 | 150.8 | 0 | 111.2 | D255 P259 K265 | D255-K257 VanDerWaalsContact CG-NZ 3.29Å; D255-K257 WeakPolarHBondContact OD1-CE 3.2Å; D255-K257 IonicContact OD1-NZ 2.76Å; D255-K257 PolarHBondContact OD1-NZ 2.79Å; D255-K257 VanDerWaalsContact OD1-NZ 3.15Å; D255-K257 WeakPolarHBondContact OD2-CE 3.39Å; D255-K257 IonicContact OD2-NZ 3.4Å; D255-K257 PolarHBondContact OD2-NZ 3.35Å; K257-P259 WeakPolarHBondContact O-CD 3.45Å; K257-K265 HydrophobicContact CB-CB 4.49Å; K257-K265 PolarHBondContact N-O 2.99Å; K257-K265 PolarHBondContact O-N 2.72Å |
| 258 | V | 92.4 | Very high | 91.7 | Very high | 93 Ų | 93 | 65.4 Ų | 65.4 | 56% | 0.564 | 36% | 0.362 | S | S | * | . | trans | -102.7 | 94.6 | 176.4 | 177 | 0 | 0 | 0 | 0 | 108.5 | Q260 T263 L264 | V258-Q260 WeakPolarHBondContact CG1-O 3.08Å; V258-T263 WeakPolarHBondContact CG1-O 3.46Å; V258-L264 HydrophobicContact CG2-CD1 4.31Å | ||
| 259 | P | 86.8 | Confident | 91.6 | Very high | 84 Ų | 84 | 61 Ų | 61 | 55% | 0.545 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -75.9 | -28.9 | -177.9 | 30.5 | -35.2 | 0 | 0 | 0 | 112.6 | K257 K265 | K257-P259 WeakPolarHBondContact O-CD 3.45Å; P259-K265 HydrophobicContact CG-CB 4.46Å |
| 260 | Q | 88.4 | Confident | 91.5 | Very high | 120 Ų | 120 | 60.4 Ų | 60.4 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -144.8 | 152.5 | 175.5 | -57 | -171.2 | -62.8 | 0 | 0 | 109.4 | V258 G262 T263 | V258-Q260 WeakPolarHBondContact CG1-O 3.08Å; Q260-G262 PolarHBondContact O-N 2.98Å; Q260-T263 PolarHBondContact N-OG1 2.82Å; Q260-T263 PolarHBondContact O-N 2.96Å; Q260-T263 PolarHBondContact O-OG1 3.46Å |
| 261 | S | 89 | Confident | 91.5 | Very high | 78 Ų | 78 | 63.7 Ų | 63.7 | 55% | 0.545 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 132.1 | 175.1 | -161.8 | 0 | 0 | 0 | 0 | 110.8 | Y243 T263 | Y243-S261 WeakPolarHBondContact CD2-OG 3.4Å; S261-T263 VanDerWaalsContact C-N 3.33Å; S261-T263 PolarHBondContact O-N 3.46Å |
| 262 | G | 88.3 | Confident | 91.6 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -9.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | G231 Y243 W245 Q260 | G231-G262 VanDerWaalsContact CA-O 3.28Å; G231-G262 WeakPolarHBondContact CA-O 3.5Å; G231-G262 PolarHBondContact N-O 3.49Å; Y243-G262 VanDerWaalsContact CD1-CA 3.46Å; Y243-G262 VanDerWaalsContact CG-CA 3.46Å; W245-G262 PolarHBondContact NE1-O 2.78Å; Q260-G262 PolarHBondContact O-N 2.98Å |
| 263 | T | 93.6 | Very high | 91.9 | Very high | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 142 | 178.8 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | L229 R232 V258 Q260 S261 | L229-T263 WeakPolarHBondContact O-CA 3.06Å; R232-T263 HydrophobicContact CG-CG2 4.25Å; V258-T263 WeakPolarHBondContact CG1-O 3.46Å; Q260-T263 PolarHBondContact N-OG1 2.82Å; Q260-T263 PolarHBondContact O-N 2.96Å; Q260-T263 PolarHBondContact O-OG1 3.46Å; S261-T263 VanDerWaalsContact C-N 3.33Å; S261-T263 PolarHBondContact O-N 3.46Å |
| 264 | L | 94.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 115.9 | 177.3 | 174.5 | 65.6 | 0 | 0 | 0 | 109.7 | V228 L229 W245 M256 V258 L266 F276 | V228-L264 CarbonylContact C-O 3.55Å; V228-L264 WeakPolarHBondContact CA-O 3.28Å; L229-L264 HydrophobicContact CB-CB 4.41Å; L229-L264 HydrophobicContact CD1-CD2 4.24Å; L229-L264 PolarHBondContact N-O 3.33Å; L229-L264 PolarHBondContact O-N 3.08Å; W245-L264 HydrophobicContact CB-CD1 4.44Å; W245-L264 HydrophobicContact CB-CD2 3.95Å; W245-L264 HydrophobicContact CD2-CB 3.8Å; W245-L264 HydrophobicContact CD2-CD2 3.79Å; W245-L264 HydrophobicContact CD2-CG 4.41Å; W245-L264 HydrophobicContact CE3-CB 4.42Å; W245-L264 HydrophobicContact CE3-CD2 3.77Å; W245-L264 HydrophobicContact CG-CB 3.88Å; W245-L264 HydrophobicContact CG-CD2 3.92Å; W245-L264 HydrophobicContact CG-CG 4.35Å; W245-L264 HydrophobicContact CZ2-CB 4.28Å; W245-L264 HydrophobicContact CZ3-CD2 4.47Å; M256-L264 HydrophobicContact CB-CD1 4.07Å; M256-L264 HydrophobicContact CE-CD1 4.04Å; M256-L264 HydrophobicContact CE-CD2 3.93Å; M256-L264 HydrophobicContact CG-CD1 4.5Å; V258-L264 HydrophobicContact CG2-CD1 4.31Å; L264-L266 HydrophobicContact CD1-CD2 4.18Å; L264-L266 HydrophobicContact CD2-CD2 3.93Å; L264-L266 HydrophobicContact CD2-CG 4.35Å; L264-L266 HydrophobicContact CG-CD2 3.91Å; L264-L266 HydrophobicContact CG-CG 4.18Å; L264-F276 HydrophobicContact CD2-CD1 3.95Å; L264-F276 HydrophobicContact CD2-CE1 4.45Å; L264-F276 HydrophobicContact CD2-CG 4.36Å |
| 265 | K | 95.3 | Very high | 92.6 | Very high | 103 Ų | 103 | 57.2 Ų | 57.2 | 45% | 0.448 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 129 | 169.2 | -179.5 | 170.7 | -179.7 | 176.6 | 0 | 109.4 | V228 K257 P259 | V228-K265 HydrophobicContact CG2-CB 4.16Å; V228-K265 HydrophobicContact CG2-CD 4.44Å; V228-K265 HydrophobicContact CG2-CG 4.07Å; K257-K265 HydrophobicContact CB-CB 4.49Å; K257-K265 PolarHBondContact N-O 2.99Å; K257-K265 PolarHBondContact O-N 2.72Å; P259-K265 HydrophobicContact CG-CB 4.46Å |
| 266 | L | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 142.2 | 175.4 | -58 | 172.2 | 0 | 0 | 0 | 109.5 | G226 V227 L229 V254 D255 M256 L264 L269 F276 V294 | G226-L266 VanDerWaalsContact CA-O 3.22Å; G226-L266 WeakPolarHBondContact CA-O 3.3Å; V227-L266 HydrophobicContact CG1-CB 4Å; V227-L266 HydrophobicContact CG1-CD1 3.81Å; V227-L266 HydrophobicContact CG1-CG 4.35Å; V227-L266 PolarHBondContact N-O 3.28Å; V227-L266 VanDerWaalsContact N-O 3.11Å; V227-L266 PolarHBondContact O-N 3.44Å; L229-L266 HydrophobicContact CD1-CD1 3.82Å; L229-L266 HydrophobicContact CG-CD1 4.38Å; V254-L266 HydrophobicContact CG2-CB 4.43Å; V254-L266 HydrophobicContact CG2-CD2 4.17Å; D255-L266 WeakPolarHBondContact O-CA 3.35Å; M256-L266 HydrophobicContact CB-CD2 4.44Å; M256-L266 HydrophobicContact CG-CD2 3.73Å; L264-L266 HydrophobicContact CD1-CD2 4.18Å; L264-L266 HydrophobicContact CD2-CD2 3.93Å; L264-L266 HydrophobicContact CD2-CG 4.35Å; L264-L266 HydrophobicContact CG-CD2 3.91Å; L264-L266 HydrophobicContact CG-CG 4.18Å; L266-L269 HydrophobicContact CB-CD1 3.7Å; L266-F276 HydrophobicContact CD1-CD2 3.99Å; L266-F276 HydrophobicContact CD1-CE1 3.93Å; L266-F276 HydrophobicContact CD1-CE2 3.32Å; L266-F276 HydrophobicContact CD1-CZ 3.3Å; L266-F276 HydrophobicContact CD2-CD1 4.43Å; L266-F276 HydrophobicContact CD2-CE1 3.62Å; L266-F276 HydrophobicContact CD2-CZ 3.69Å; L266-F276 HydrophobicContact CG-CE1 4.44Å; L266-F276 HydrophobicContact CG-CZ 4.14Å; L266-V294 HydrophobicContact CD1-CG2 4.41Å |
| 267 | S | 94.1 | Very high | 92.9 | Very high | 21 Ų | 21 | 54.3 Ų | 54.3 | 15% | 0.147 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 158.7 | 174 | 18.5 | 0 | 0 | 0 | 0 | 111.6 | D225 D255 L269 | D225-S267 CarbonylContact O-C 3.54Å; D255-S267 PolarHBondContact N-O 2.83Å; D255-S267 VanDerWaalsContact N-O 3.13Å; D255-S267 PolarHBondContact O-N 2.81Å; D255-S267 VanDerWaalsContact O-N 3.17Å; D255-S267 PolarHBondContact OD2-OG 3.12Å; S267-L269 VanDerWaalsContact C-N 3.33Å; S267-L269 PolarHBondContact O-N 3.49Å |
| 268 | H | 90.7 | Very high | 93 | Very high | 125 Ų | 125 | 49 Ų | 49 | 58% | 0.579 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 59.6 | 37.6 | -176.9 | -48.2 | 166.1 | 0 | 0 | 0 | 113.5 | D225 | D225-H268 PolarHBondContact O-N 3.42Å; D225-H268 VanDerWaalsContact OD2-CA 3.25Å; D225-H268 WeakPolarHBondContact OD2-CA 3.47Å; D225-H268 IonicContact OD2-CD2 3.4Å; D225-H268 PolarHBondContact OD2-CD2 3.4Å; D225-H268 PolarHBondContact OD2-N 2.97Å; D225-H268 VanDerWaalsContact OD2-N 3.16Å |
| 269 | L | 92.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 139.1 | 170.7 | -62.2 | 88.7 | 0 | 0 | 0 | 110.5 | L220 D225 V227 V254 L266 S267 Y274 V294 V296 | L220-L269 HydrophobicContact CD1-CD2 4.4Å; D225-L269 WeakPolarHBondContact O-CD1 3.45Å; D225-L269 PolarHBondContact O-N 3.26Å; V227-L269 HydrophobicContact CG1-CD1 4.49Å; V254-L269 HydrophobicContact CG2-CD1 4.42Å; V254-L269 HydrophobicContact CG2-CG 3.99Å; L266-L269 HydrophobicContact CB-CD1 3.7Å; S267-L269 VanDerWaalsContact C-N 3.33Å; S267-L269 PolarHBondContact O-N 3.49Å; L269-Y274 HydrophobicContact CB-CE2 4.16Å; L269-Y274 HydrophobicContact CD2-CD2 3.95Å; L269-Y274 HydrophobicContact CD2-CE2 4.13Å; L269-Y274 HydrophobicContact CD2-CG 4.36Å; L269-Y274 HydrophobicContact CG-CE2 4.49Å; L269-V294 HydrophobicContact CD2-CB 4.39Å; L269-V294 HydrophobicContact CD2-CG1 3.69Å; L269-V296 HydrophobicContact CB-CG2 3.74Å; L269-V296 HydrophobicContact CD2-CG2 3.76Å; L269-V296 HydrophobicContact CG-CG2 4.4Å |
| 270 | Q | 92.1 | Very high | 93.6 | Very high | 108 Ų | 108 | 41.6 Ų | 41.6 | 51% | 0.505 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -102.7 | 173.3 | 176.3 | -58.3 | -175.9 | 26.4 | 0 | 0 | 110.5 | G272 Y274 V296 | Q270-G272 PolarHBondContact O-N 3Å; Q270-Y274 PolarHBondContact N-OH 3.29Å; Q270-Y274 WeakPolarHBondContact O-CE2 3.32Å; Q270-V296 WeakPolarHBondContact O-CB 3.32Å; Q270-V296 WeakPolarHBondContact O-CG1 3.48Å |
| 271 | E | 91.4 | Very high | 93.9 | Very high | 105 Ų | 105 | 37.5 Ų | 37.5 | 49% | 0.491 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -56.1 | 124.9 | 174.2 | -178.6 | -175.1 | 175.1 | 0 | 0 | 110.8 | V296 R298 | E271-V296 WeakPolarHBondContact CA-O 3.31Å; E271-R298 HydrophobicContact CG-CG 4.14Å; E271-R298 IonicContact OE1-CZ 3.31Å; E271-R298 VanDerWaalsContact OE1-CZ 3.31Å; E271-R298 IonicContact OE1-NE 2.83Å; E271-R298 PolarHBondContact OE1-NE 2.03Å; E271-R298 IonicContact OE1-NH2 2.91Å; E271-R298 PolarHBondContact OE1-NH2 3.08Å; E271-R298 WeakPolarHBondContact OE2-CD 3.39Å; E271-R298 WeakPolarHBondContact OE2-CG 3.44Å; E271-R298 IonicContact OE2-CZ 3.91Å; E271-R298 IonicContact OE2-NE 2.87Å; E271-R298 PolarHBondContact OE2-NE 2.98Å |
| 272 | G | 91.8 | Very high | 94.1 | Very high | 29 Ų | 29 | 33.8 Ų | 33.8 | 30% | 0.299 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.4 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | Q270 V296 | Q270-G272 PolarHBondContact O-N 3Å; G272-V296 PolarHBondContact N-O 2.91Å; G272-V296 PolarHBondContact O-N 3.37Å |
| 273 | T | 95 | Very high | 94.2 | Very high | 70 Ų | 70 | 37.7 Ų | 37.7 | 43% | 0.429 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.1 | 173.9 | -54.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 274 | Y | 96.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.6 | 174.8 | -60.5 | -102.8 | 0 | 0 | 0 | 109 | L247 Q249 D251 V254 L269 Q270 F276 S293 V294 V296 | L247-Y274 HydrophobicContact CD1-CD1 4.18Å; Q249-Y274 CarbonylContact O-C 3.54Å; Q249-Y274 VanDerWaalsContact O-CA 3.25Å; Q249-Y274 WeakPolarHBondContact O-CA 3.41Å; D251-Y274 HydrophobicContact CB-CE1 4.08Å; V254-Y274 HydrophobicContact CB-CE1 4.21Å; V254-Y274 HydrophobicContact CG1-CE1 4.45Å; L269-Y274 HydrophobicContact CB-CE2 4.16Å; L269-Y274 HydrophobicContact CD2-CD2 3.95Å; L269-Y274 HydrophobicContact CD2-CE2 4.13Å; L269-Y274 HydrophobicContact CD2-CG 4.36Å; L269-Y274 HydrophobicContact CG-CE2 4.49Å; Q270-Y274 PolarHBondContact N-OH 3.29Å; Q270-Y274 WeakPolarHBondContact O-CE2 3.32Å; Y274-F276 VanDerWaalsContact CB-CE2 3.47Å; Y274-F276 HydrophobicContact CD1-CZ 4.39Å; Y274-F276 HydrophobicContact CG-CE2 4.39Å; Y274-F276 HydrophobicContact CG-CZ 4.44Å; Y274-S293 CarbonylContact O-C 3.55Å; Y274-S293 VanDerWaalsContact O-CA 3.28Å; Y274-S293 WeakPolarHBondContact O-CA 3.38Å; Y274-V294 PolarHBondContact N-O 2.89Å; Y274-V294 PolarHBondContact O-N 2.84Å; Y274-V296 HydrophobicContact CD2-CG2 4.35Å; Y274-V296 HydrophobicContact CE2-CG2 4.19Å |
| 275 | T | 96.4 | Very high | 93.6 | Very high | 25 Ų | 25 | 42.7 Ų | 42.7 | 15% | 0.153 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 119.9 | 174.8 | -56 | 0 | 0 | 0 | 0 | 108.9 | L248 Q249 N291 | L248-T275 PolarHBondContact N-O 2.97Å; Q249-T275 PolarHBondContact N-O 3.4Å; Q249-T275 PolarHBondContact O-N 2.96Å; Q249-T275 PolarHBondContact OE1-OG1 3.17Å; T275-N291 HydrophobicContact CG2-CB 4.46Å |
| 276 | F | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 139.1 | 178 | -60.2 | -86.8 | 0 | 0 | 0 | 109.9 | L229 W245 A246 L247 M256 L264 L266 Y274 N291 V292 V294 | L229-F276 HydrophobicContact CD1-CB 4.29Å; L229-F276 HydrophobicContact CD1-CD2 3.88Å; L229-F276 HydrophobicContact CD1-CG 4.14Å; W245-F276 HydrophobicContact CE3-CB 4.28Å; W245-F276 HydrophobicContact CZ3-CB 4.34Å; A246-F276 CarbonylContact O-C 3.58Å; A246-F276 WeakPolarHBondContact O-CA 3.28Å; L247-F276 HydrophobicContact CB-CD1 4.32Å; L247-F276 HydrophobicContact CB-CE1 4.22Å; L247-F276 HydrophobicContact CD1-CD1 3.94Å; L247-F276 HydrophobicContact CD1-CE1 3.46Å; L247-F276 VanDerWaalsContact CD1-CE1 3.46Å; L247-F276 HydrophobicContact CD1-CE2 4.45Å; L247-F276 HydrophobicContact CD1-CZ 3.73Å; L247-F276 HydrophobicContact CG-CE1 4.41Å; M256-F276 HydrophobicContact CE-CD1 4Å; M256-F276 HydrophobicContact CE-CE1 4.09Å; M256-F276 HydrophobicContact CG-CE1 4.48Å; M256-F276 HydrophobicContact SD-CE1 4.18Å; L264-F276 HydrophobicContact CD2-CD1 3.95Å; L264-F276 HydrophobicContact CD2-CE1 4.45Å; L264-F276 HydrophobicContact CD2-CG 4.36Å; L266-F276 HydrophobicContact CD1-CD2 3.99Å; L266-F276 HydrophobicContact CD1-CE1 3.93Å; L266-F276 HydrophobicContact CD1-CE2 3.32Å; L266-F276 HydrophobicContact CD1-CZ 3.3Å; L266-F276 HydrophobicContact CD2-CD1 4.43Å; L266-F276 HydrophobicContact CD2-CE1 3.62Å; L266-F276 HydrophobicContact CD2-CZ 3.69Å; L266-F276 HydrophobicContact CG-CE1 4.44Å; L266-F276 HydrophobicContact CG-CZ 4.14Å; Y274-F276 VanDerWaalsContact CB-CE2 3.47Å; Y274-F276 HydrophobicContact CD1-CZ 4.39Å; Y274-F276 HydrophobicContact CG-CE2 4.39Å; Y274-F276 HydrophobicContact CG-CZ 4.44Å; F276-N291 CarbonylContact O-C 3.57Å; F276-N291 WeakPolarHBondContact O-CA 3.38Å; F276-V292 HydrophobicContact CB-CG1 4.12Å; F276-V292 PolarHBondContact N-O 3.13Å; F276-V292 PolarHBondContact O-N 3.02Å; F276-V294 HydrophobicContact CD2-CG2 4.07Å; F276-V294 HydrophobicContact CE2-CB 4.27Å; F276-V294 HydrophobicContact CE2-CG2 3.98Å |
| 277 | Q | 96.6 | Very high | 93.4 | Very high | 51 Ų | 51 | 47.4 Ų | 47.4 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 124.8 | 172.5 | 176.4 | 163.7 | 90.3 | 0 | 0 | 109.5 | W245 A246 L248 D290 N291 | W245-Q277 WeakPolarHBondContact CA-O 3.3Å; A246-Q277 PolarHBondContact N-O 3.4Å; A246-Q277 PolarHBondContact O-N 2.97Å; L248-Q277 HydrophobicContact CD1-CB 3.77Å; L248-Q277 HydrophobicContact CD2-CB 4.25Å; L248-Q277 HydrophobicContact CG-CB 3.82Å; Q277-D290 WeakPolarHBondContact CA-O 3.32Å; Q277-N291 WeakPolarHBondContact CB-OD1 3.27Å; Q277-N291 WeakPolarHBondContact CG-OD1 3.4Å; Q277-N291 PolarHBondContact NE2-OD1 2.97Å |
| 278 | L | 96.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 129.2 | 162.5 | 173.9 | 62.9 | 0 | 0 | 0 | 108.2 | K213 A214 Y243 E244 W245 V280 S289 D290 | K213-L278 WeakPolarHBondContact O-CD2 2.99Å; A214-L278 HydrophobicContact CB-CB 3.87Å; A214-L278 HydrophobicContact CB-CD2 4.4Å; Y243-L278 HydrophobicContact CD1-CD1 4.12Å; E244-L278 CarbonylContact O-C 3.34Å; W245-L278 HydrophobicContact CD2-CB 4.26Å; W245-L278 HydrophobicContact CD2-CD1 4.01Å; W245-L278 HydrophobicContact CE3-CB 3.93Å; W245-L278 HydrophobicContact CG-CD1 4.41Å; W245-L278 HydrophobicContact CH2-CB 3.91Å; W245-L278 HydrophobicContact CH2-CD2 4.44Å; W245-L278 HydrophobicContact CZ2-CB 4.22Å; W245-L278 HydrophobicContact CZ2-CD1 3.97Å; W245-L278 HydrophobicContact CZ2-CD2 4.31Å; W245-L278 HydrophobicContact CZ2-CG 4.39Å; W245-L278 HydrophobicContact CZ3-CB 3.75Å; L278-V280 HydrophobicContact CD1-CG2 4.13Å; L278-V280 HydrophobicContact CD2-CG2 3.89Å; L278-V280 HydrophobicContact CG-CG2 3.77Å; L278-S289 CarbonylContact O-C 3.32Å; L278-S289 WeakPolarHBondContact O-CA 2.82Å; L278-D290 PolarHBondContact N-O 2.98Å; L278-D290 PolarHBondContact O-N 2.88Å |
| 279 | T | 96 | Very high | 93.7 | Very high | 22 Ų | 22 | 44.7 Ų | 44.7 | 14% | 0.135 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.5 | 166.3 | -62.8 | 0 | 0 | 0 | 0 | 109.5 | E244 R287 S288 S289 | E244-T279 PolarHBondContact N-O 3.45Å; E244-T279 PolarHBondContact O-N 3.43Å; T279-R287 HydrophobicContact CG2-CB 4.47Å; T279-S288 CarbonylContact C-O 3.48Å; T279-S288 WeakPolarHBondContact CA-O 3.21Å; T279-S289 PolarHBondContact OG1-OG 2.9Å |
| 280 | V | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 137.5 | -174.7 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | P210 I240 Q242 Y243 L278 R287 S288 | P210-V280 HydrophobicContact CB-CG1 4.08Å; P210-V280 HydrophobicContact CG-CG1 4.37Å; I240-V280 HydrophobicContact CB-CG1 4.17Å; I240-V280 HydrophobicContact CD1-CG1 3.67Å; I240-V280 HydrophobicContact CG1-CG1 3.7Å; I240-V280 HydrophobicContact CG2-CG1 3.38Å; Q242-V280 WeakPolarHBondContact O-CA 3.48Å; Y243-V280 HydrophobicContact CD1-CG2 4.11Å; Y243-V280 HydrophobicContact CE1-CG1 4.5Å; Y243-V280 HydrophobicContact CE1-CG2 4.4Å; L278-V280 HydrophobicContact CD1-CG2 4.13Å; L278-V280 HydrophobicContact CD2-CG2 3.89Å; L278-V280 HydrophobicContact CG-CG2 3.77Å; V280-R287 VanDerWaalsContact O-CA 3.27Å; V280-R287 WeakPolarHBondContact O-CA 3.42Å; V280-S288 PolarHBondContact N-O 3.42Å; V280-S288 PolarHBondContact O-N 3.24Å |
| 281 | M | 93.5 | Very high | 94.2 | Very high | 34 Ų | 34 | 45.9 Ų | 45.9 | 17% | 0.167 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 137.3 | 178.7 | -167.9 | 173.4 | 71.7 | 0 | 0 | 111.4 | V241 Q242 Q286 R287 | V241-M281 HydrophobicContact CG2-CB 4.47Å; V241-M281 HydrophobicContact CG2-CE 3.74Å; V241-M281 HydrophobicContact CG2-CG 4.48Å; V241-M281 PolarHBondContact N-O 3.35Å; Q242-M281 HydrophobicContact CB-CB 4.15Å; Q242-M281 HydrophobicContact CB-CE 4.1Å; Q242-M281 PolarHBondContact N-O 2.9Å; Q242-M281 PolarHBondContact O-N 3.05Å; Q242-M281 VanDerWaalsContact OE1-CE 3.26Å; M281-Q286 VanDerWaalsContact CA-O 3.31Å; M281-Q286 WeakPolarHBondContact CA-O 3.49Å; M281-Q286 WeakPolarHBondContact CG-O 3.46Å; M281-R287 HydrophobicContact CB-CG 4.04Å; M281-R287 HydrophobicContact CG-CG 3.79Å; M281-R287 HydrophobicContact SD-CG 4.22Å; M281-R287 PolarHBondContact SD-NE 3.14Å; M281-R287 PolarHBondContact SD-NH2 3.25Å |
| 282 | D | 93.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -177.6 | 178.5 | 68.1 | 22.6 | 0 | 0 | 0 | 113.2 | P210 D236 A239 V241 A284 G285 Q286 | P210-D282 HydrophobicContact CG-CB 4.24Å; D236-D282 WeakPolarHBondContact OD1-CB 3.17Å; A239-D282 CarbonylContact O-C 3.57Å; A239-D282 WeakPolarHBondContact O-CA 3.27Å; V241-D282 WeakPolarHBondContact CG2-O 3.36Å; D282-A284 VanDerWaalsContact C-N 3.33Å; D282-A284 PolarHBondContact O-N 2.91Å; D282-A284 VanDerWaalsContact OD1-C 3.29Å; D282-A284 WeakPolarHBondContact OD1-CA 3.43Å; D282-A284 PolarHBondContact OD1-N 3.42Å; D282-G285 PolarHBondContact O-N 3.34Å; D282-G285 PolarHBondContact OD1-N 2.91Å; D282-Q286 PolarHBondContact N-O 2.9Å; D282-Q286 VanDerWaalsContact N-O 3.12Å; D282-Q286 PolarHBondContact OD1-N 3.4Å; D282-Q286 WeakPolarHBondContact OD2-CB 3.49Å; D282-Q286 WeakPolarHBondContact OD2-CG 3.43Å; D282-Q286 PolarHBondContact OD2-NE2 2.88Å |
| 283 | T | 89.5 | Confident | 94.6 | Very high | 82 Ų | 82 | 41 Ų | 41 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -22.1 | 175 | 39.1 | 0 | 0 | 0 | 0 | 115.5 | H238 A239 V241 | H238-T283 WeakPolarHBondContact CB-OG1 3.47Å; A239-T283 HydrophobicContact CB-CG2 3.96Å; A239-T283 PolarHBondContact O-N 3.06Å; V241-T283 HydrophobicContact CG1-CG2 3.48Å; V241-T283 VanDerWaalsContact CG1-CG2 3.48Å |
| 284 | A | 87.8 | Confident | 94.7 | Very high | 70 Ų | 70 | 37.6 Ų | 37.6 | 58% | 0.579 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | -4.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D207 D282 Q286 | D207-A284 WeakPolarHBondContact OD2-CB 3.45Å; D282-A284 VanDerWaalsContact C-N 3.33Å; D282-A284 PolarHBondContact O-N 2.91Å; D282-A284 VanDerWaalsContact OD1-C 3.29Å; D282-A284 WeakPolarHBondContact OD1-CA 3.43Å; D282-A284 PolarHBondContact OD1-N 3.42Å; A284-Q286 HydrophobicContact CB-CG 4.41Å |
| 285 | G | 88.6 | Confident | 94.6 | Very high | 42 Ų | 42 | 39.2 Ų | 39.2 | 43% | 0.433 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 85.5 | 9.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D282 | D282-G285 PolarHBondContact O-N 3.34Å; D282-G285 PolarHBondContact OD1-N 2.91Å |
| 286 | Q | 92 | Very high | 94.5 | Very high | 59 Ų | 59 | 38 Ų | 38 | 28% | 0.276 | 22% | 0.223 | S | C | . | . | trans | -72.4 | 154.1 | 170.6 | -34.1 | 172 | 86.8 | 0 | 0 | 109.5 | D207 A208 P209 M281 D282 A284 | D207-Q286 VanDerWaalsContact CG-NE2 3.29Å; D207-Q286 PolarHBondContact OD2-NE2 2.96Å; A208-Q286 PolarHBondContact O-NE2 3.38Å; P209-Q286 HydrophobicContact CB-CB 4.18Å; M281-Q286 VanDerWaalsContact CA-O 3.31Å; M281-Q286 WeakPolarHBondContact CA-O 3.49Å; M281-Q286 WeakPolarHBondContact CG-O 3.46Å; D282-Q286 PolarHBondContact N-O 2.9Å; D282-Q286 VanDerWaalsContact N-O 3.12Å; D282-Q286 PolarHBondContact OD1-N 3.4Å; D282-Q286 WeakPolarHBondContact OD2-CB 3.49Å; D282-Q286 WeakPolarHBondContact OD2-CG 3.43Å; D282-Q286 PolarHBondContact OD2-NE2 2.88Å; A284-Q286 HydrophobicContact CB-CG 4.41Å | ||
| 287 | R | 94.4 | Very high | 94.2 | Very high | 144 Ų | 144 | 41.5 Ų | 41.5 | 54% | 0.543 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 149.8 | -171.7 | -65.2 | -178.3 | -178.7 | -155.3 | -5.7 | 112 | T279 V280 M281 | T279-R287 HydrophobicContact CG2-CB 4.47Å; V280-R287 VanDerWaalsContact O-CA 3.27Å; V280-R287 WeakPolarHBondContact O-CA 3.42Å; M281-R287 HydrophobicContact CB-CG 4.04Å; M281-R287 HydrophobicContact CG-CG 3.79Å; M281-R287 HydrophobicContact SD-CG 4.22Å; M281-R287 PolarHBondContact SD-NE 3.14Å; M281-R287 PolarHBondContact SD-NH2 3.25Å |
| 288 | S | 95.7 | Very high | 93.7 | Very high | 29 Ų | 29 | 47 Ų | 47 | 20% | 0.203 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 143.6 | 178.6 | -163.4 | 0 | 0 | 0 | 0 | 109.6 | P210 S212 T279 V280 | P210-S288 WeakPolarHBondContact O-CB 3.14Å; P210-S288 PolarHBondContact O-OG 2.89Å; S212-S288 PolarHBondContact OG-OG 3.3Å; T279-S288 CarbonylContact C-O 3.48Å; T279-S288 WeakPolarHBondContact CA-O 3.21Å; V280-S288 PolarHBondContact N-O 3.42Å; V280-S288 PolarHBondContact O-N 3.24Å |
| 289 | S | 96.4 | Very high | 92.7 | Very high | 60 Ų | 60 | 48.1 Ų | 48.1 | 42% | 0.42 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 137.9 | -175.7 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | S212 L278 T279 | S212-S289 WeakPolarHBondContact OG-CA 3.43Å; S212-S289 PolarHBondContact OG-N 2.86Å; S212-S289 PolarHBondContact OG-O 3.33Å; L278-S289 CarbonylContact O-C 3.32Å; L278-S289 WeakPolarHBondContact O-CA 2.82Å; T279-S289 PolarHBondContact OG1-OG 2.9Å |
| 290 | D | 96.8 | Very high | 91.1 | Very high | 57 Ų | 57 | 50.3 Ų | 50.3 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 149.8 | 176.8 | -173 | 29.8 | 0 | 0 | 0 | 110.2 | S212 K213 A214 Q277 L278 | S212-D290 PolarHBondContact OG-N 3.45Å; K213-D290 WeakPolarHBondContact CA-OD2 3.38Å; A214-D290 HydrophobicContact CB-CB 4.11Å; A214-D290 PolarHBondContact N-OD2 3.43Å; Q277-D290 WeakPolarHBondContact CA-O 3.32Å; L278-D290 PolarHBondContact N-O 2.98Å; L278-D290 PolarHBondContact O-N 2.88Å |
| 291 | N | 96.7 | Very high | 89.3 | Confident | 79 Ų | 79 | 55.5 Ų | 55.5 | 42% | 0.422 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138.6 | -172.8 | -63.9 | -17.2 | 0 | 0 | 0 | 110.7 | T275 F276 Q277 | T275-N291 HydrophobicContact CG2-CB 4.46Å; F276-N291 CarbonylContact O-C 3.57Å; F276-N291 WeakPolarHBondContact O-CA 3.38Å; Q277-N291 WeakPolarHBondContact CB-OD1 3.27Å; Q277-N291 WeakPolarHBondContact CG-OD1 3.4Å; Q277-N291 PolarHBondContact NE2-OD1 2.97Å |
| 292 | V | 96.5 | Very high | 87.2 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 136.7 | 174 | 61.2 | 0 | 0 | 0 | 0 | 110 | A214 Q216 L229 W245 F276 | A214-V292 HydrophobicContact CB-CB 3.86Å; A214-V292 HydrophobicContact CB-CG1 3.87Å; Q216-V292 WeakPolarHBondContact O-CG2 3.39Å; L229-V292 HydrophobicContact CD1-CG1 3.8Å; L229-V292 HydrophobicContact CD2-CG1 4.37Å; L229-V292 HydrophobicContact CD2-CG2 4.27Å; W245-V292 HydrophobicContact CH2-CG1 4.4Å; W245-V292 HydrophobicContact CZ3-CG1 3.93Å; F276-V292 HydrophobicContact CB-CG1 4.12Å; F276-V292 PolarHBondContact N-O 3.13Å; F276-V292 PolarHBondContact O-N 3.02Å |
| 293 | S | 95.9 | Very high | 85.3 | Confident | 29 Ų | 29 | 66.3 Ų | 66.3 | 20% | 0.203 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 141 | 175.6 | 70.8 | 0 | 0 | 0 | 0 | 112.1 | D217 V218 Y274 | D217-S293 CarbonylContact C-O 3.56Å; D217-S293 VanDerWaalsContact CA-O 3.31Å; D217-S293 WeakPolarHBondContact CA-O 3.2Å; D217-S293 WeakPolarHBondContact OD1-CA 3.24Å; D217-S293 WeakPolarHBondContact OD1-CB 3.16Å; D217-S293 PolarHBondContact OD1-N 2.96Å; D217-S293 PolarHBondContact OD1-OG 3.06Å; V218-S293 PolarHBondContact N-O 3.47Å; Y274-S293 CarbonylContact O-C 3.55Å; Y274-S293 VanDerWaalsContact O-CA 3.28Å; Y274-S293 WeakPolarHBondContact O-CA 3.38Å |
| 294 | V | 96.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 109.9 | 172.6 | -177 | 0 | 0 | 0 | 0 | 107.3 | V218 L220 V227 L229 L266 L269 Y274 F276 V296 | V218-V294 HydrophobicContact CB-CG2 4.44Å; V218-V294 CarbonylContact O-C 3.56Å; V218-V294 WeakPolarHBondContact O-CA 3.11Å; L220-V294 HydrophobicContact CD1-CG1 4.02Å; L220-V294 HydrophobicContact CG-CG1 4.23Å; V227-V294 HydrophobicContact CG1-CG1 4.16Å; V227-V294 HydrophobicContact CG1-CG2 4.39Å; L229-V294 HydrophobicContact CD1-CG2 4.11Å; L229-V294 HydrophobicContact CD2-CG2 4.02Å; L266-V294 HydrophobicContact CD1-CG2 4.41Å; L269-V294 HydrophobicContact CD2-CB 4.39Å; L269-V294 HydrophobicContact CD2-CG1 3.69Å; Y274-V294 PolarHBondContact N-O 2.89Å; Y274-V294 PolarHBondContact O-N 2.84Å; F276-V294 HydrophobicContact CD2-CG2 4.07Å; F276-V294 HydrophobicContact CE2-CB 4.27Å; F276-V294 HydrophobicContact CE2-CG2 3.98Å; V294-V296 HydrophobicContact CG1-CG2 4.36Å |
| 295 | T | 94.5 | Very high | 81.9 | Confident | 37 Ų | 37 | 65.2 Ų | 65.2 | 23% | 0.227 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.2 | 177.1 | -59.5 | 0 | 0 | 0 | 0 | 109.2 | V218 V219 L220 L297 | V218-T295 PolarHBondContact O-N 2.9Å; V219-T295 CarbonylContact C-O 3.37Å; V219-T295 WeakPolarHBondContact CA-O 3.36Å; L220-T295 PolarHBondContact N-O 3.25Å; T295-L297 HydrophobicContact CG2-CD2 3.88Å; T295-L297 HydrophobicContact CG2-CG 4.21Å |
| 296 | V | 94.8 | Very high | 80.7 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 110.8 | 174.7 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | L220 L222 L269 Q270 E271 G272 Y274 V294 | L220-V296 HydrophobicContact CB-CG1 4.46Å; L220-V296 HydrophobicContact CB-CG2 4.24Å; L220-V296 HydrophobicContact CD1-CG2 4.16Å; L222-V296 HydrophobicContact CD2-CG1 4.04Å; L222-V296 HydrophobicContact CG-CG1 4.13Å; L269-V296 HydrophobicContact CB-CG2 3.74Å; L269-V296 HydrophobicContact CD2-CG2 3.76Å; L269-V296 HydrophobicContact CG-CG2 4.4Å; Q270-V296 WeakPolarHBondContact O-CB 3.32Å; Q270-V296 WeakPolarHBondContact O-CG1 3.48Å; E271-V296 WeakPolarHBondContact CA-O 3.31Å; G272-V296 PolarHBondContact N-O 2.91Å; G272-V296 PolarHBondContact O-N 3.37Å; Y274-V296 HydrophobicContact CD2-CG2 4.35Å; Y274-V296 HydrophobicContact CE2-CG2 4.19Å; V294-V296 HydrophobicContact CG1-CG2 4.36Å |
| 297 | L | 90.8 | Very high | 79.3 | Confident | 73 Ų | 73 | 68.9 Ų | 68.9 | 38% | 0.382 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 156.8 | 173 | -60 | 178.2 | 0 | 0 | 0 | 109.7 | V219 L220 H221 L222 T295 | V219-L297 HydrophobicContact CG1-CD1 3.69Å; V219-L297 HydrophobicContact CG1-CG 4.08Å; L220-L297 PolarHBondContact O-N 2.82Å; H221-L297 WeakPolarHBondContact CA-O 3.36Å; L222-L297 PolarHBondContact N-O 2.94Å; L222-L297 VanDerWaalsContact N-O 3.07Å; T295-L297 HydrophobicContact CG2-CD2 3.88Å; T295-L297 HydrophobicContact CG2-CG 4.21Å |
| 298 | R | 84.7 | Confident | 77.9 | Confident | 165 Ų | 165 | 68.7 Ų | 68.7 | 62% | 0.623 | 41% | 0.414 | S | S | * | . | trans | -55.9 | 163.5 | 167.6 | -59 | -176.3 | -145.5 | 132.2 | 23 | 110.9 | H221 E271 A300 | H221-R298 PolarHBondContact ND1-O 3.48Å; H221-R298 VanDerWaalsContact ND1-O 3.11Å; E271-R298 HydrophobicContact CG-CG 4.14Å; E271-R298 IonicContact OE1-CZ 3.31Å; E271-R298 VanDerWaalsContact OE1-CZ 3.31Å; E271-R298 IonicContact OE1-NE 2.83Å; E271-R298 PolarHBondContact OE1-NE 2.03Å; E271-R298 IonicContact OE1-NH2 2.91Å; E271-R298 PolarHBondContact OE1-NH2 3.08Å; E271-R298 WeakPolarHBondContact OE2-CD 3.39Å; E271-R298 WeakPolarHBondContact OE2-CG 3.44Å; E271-R298 IonicContact OE2-CZ 3.91Å; E271-R298 IonicContact OE2-NE 2.87Å; E271-R298 PolarHBondContact OE2-NE 2.98Å; R298-A300 PolarHBondContact O-N 2.91Å | ||
| 299 | A | 76.1 | Confident | 76.8 | Confident | 25 Ų | 25 | 72.7 Ų | 72.7 | 21% | 0.207 | 44% | 0.437 | C | S | . | . | trans | -51.7 | 109.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | L222 Y301 | L222-A299 VanDerWaalsContact O-CA 3.24Å; L222-A299 WeakPolarHBondContact O-CA 3.39Å; L222-A299 WeakPolarHBondContact O-CB 3.27Å; A299-Y301 VanDerWaalsContact C-N 3.32Å; A299-Y301 HydrophobicContact CB-CE1 4.15Å; A299-Y301 HydrophobicContact CB-CE2 3.98Å; A299-Y301 PolarHBondContact O-N 2.82Å | ||
| 300 | A | 61.7 | Low | 75.9 | Confident | 68 Ų | 68 | 71.5 Ų | 71.5 | 56% | 0.562 | 43% | 0.428 | S | S | * | . | trans | -81.3 | 86.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | R298 S302 | R298-A300 PolarHBondContact O-N 2.91Å; A300-S302 PolarHBondContact O-N 3.14Å | ||
| 301 | Y | 58.2 | Low | 74.9 | Confident | 109 Ų | 109 | 72.5 Ų | 72.5 | 43% | 0.427 | 44% | 0.44 | S | S | . | . | trans | -60.3 | 107.3 | 169.9 | -60 | -63.2 | 0 | 0 | 0 | 108.3 | A299 T303 L327 Q334 | A299-Y301 VanDerWaalsContact C-N 3.32Å; A299-Y301 HydrophobicContact CB-CE1 4.15Å; A299-Y301 HydrophobicContact CB-CE2 3.98Å; A299-Y301 PolarHBondContact O-N 2.82Å; Y301-T303 PolarHBondContact O-N 3Å; Y301-L327 HydrophobicContact CE1-CD1 3.46Å; Y301-L327 VanDerWaalsContact CE1-CD1 3.46Å; Y301-L327 WeakPolarHBondContact OH-CD1 3.37Å; Y301-L327 WeakPolarHBondContact OH-CD2 3.36Å; Y301-Q334 HydrophobicContact CD2-CG 4.37Å; Y301-Q334 HydrophobicContact CE2-CB 4.49Å; Y301-Q334 HydrophobicContact CE2-CG 3.85Å | ||
| 302 | S | 50 | Low | 74 | Confident | 114 Ų | 114 | 79.5 Ų | 79.5 | 80% | 0.797 | 46% | 0.461 | S | S | * | . | trans | -64.4 | 103.6 | 169.4 | -76.8 | 0 | 0 | 0 | 0 | 107.9 | A300 G304 | A300-S302 PolarHBondContact O-N 3.14Å; S302-G304 PolarHBondContact O-N 3.4Å | ||
| 303 | T | 53.5 | Low | 73.2 | Confident | 147 Ų | 147 | 87.7 Ų | 87.7 | 90% | 0.902 | 49% | 0.493 | S | S | * | . | trans | -69.1 | 52.1 | 160.5 | 44.1 | 0 | 0 | 0 | 0 | 110 | Y301 | Y301-T303 PolarHBondContact O-N 3Š| ||
| 304 | G | 48.8 | Very low | 72.6 | Confident | 63 Ų | 63 | 90.2 Ų | 90.2 | 65% | 0.649 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -126.7 | 57.4 | -164 | 0 | 0 | 0 | 0 | 0 | 111.9 | S302 | S302-G304 PolarHBondContact O-N 3.4Š|
| 305 | G | 57.8 | Low | 72 | Confident | 67 Ų | 67 | 92.6 Ų | 92.6 | 69% | 0.691 | 51% | 0.511 | S | S | * | . | trans | 86.4 | 109.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L307 | G305-L307 PolarHBondContact O-N 3.32Š| ||
| 306 | C | 62.6 | Low | 71.4 | Confident | 52 Ų | 52 | 95.6 Ų | 95.6 | 35% | 0.351 | 52% | 0.521 | S | S | . | . | trans | -61.5 | 120.5 | 168.1 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | C321 | C306-C321 WeakPolarHBondContact CA-SG 3.49Å; C306-C321 HydrophobicContact CB-CB 3.86Å; C306-C321 WeakPolarHBondContact CB-SG 3.35Å; C306-C321 WeakPolarHBondContact SG-CB 3.34Å; C306-C321 CovalentContact SG-SG 2.04Å; C306-C321 PolarHBondContact SG-SG 2.75Å | ||
| 307 | L | 63.9 | Low | 70.9 | Confident | 126 Ų | 126 | 95.5 Ų | 95.5 | 66% | 0.66 | 52% | 0.521 | S | S | * | . | trans | -98 | 108.9 | 171.1 | -172.6 | 75.5 | 0 | 0 | 0 | 107.6 | G305 T309 G320 C322 | G305-L307 PolarHBondContact O-N 3.32Å; L307-T309 PolarHBondContact O-N 2.85Å; L307-G320 CarbonylContact C-O 3.52Å; L307-C322 PolarHBondContact O-SG 3.25Å | ||
| 308 | H | 63.4 | Low | 70.5 | Confident | 140 Ų | 140 | 98.1 Ų | 98.1 | 65% | 0.648 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -61.9 | 19.9 | -178.1 | -60 | -70.8 | 0 | 0 | 0 | 115.8 | ||
| 309 | T | 73.7 | Confident | 69.9 | Low | 113 Ų | 113 | 94.7 Ų | 94.7 | 69% | 0.693 | 53% | 0.529 | S | S | * | . | trans | -134.5 | 85.5 | 177.1 | -55.2 | 0 | 0 | 0 | 0 | 109.2 | L307 | L307-T309 PolarHBondContact O-N 2.85Š| ||
| 310 | C | 76.6 | Confident | 69.9 | Low | 34 Ų | 34 | 93.5 Ų | 93.5 | 23% | 0.23 | 52% | 0.52 | C | S | . | . | trans | -74.4 | 143.4 | 175.3 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | H314 F316 C322 | C310-H314 HydrophobicContact CB-CB 4.1Å; C310-F316 VanDerWaalsContact SG-CD2 3.55Å; C310-C322 WeakPolarHBondContact CA-SG 3.25Å; C310-C322 HydrophobicContact CB-CB 3.93Å; C310-C322 WeakPolarHBondContact CB-SG 3.5Å; C310-C322 VanDerWaalsContact SG-CA 3.54Å; C310-C322 WeakPolarHBondContact SG-CB 3.34Å; C310-C322 CovalentContact SG-SG 2.03Å; C310-C322 PolarHBondContact SG-SG 3.41Å | ||
| 311 | S | 77.3 | Confident | 70.8 | Confident | 78 Ų | 78 | 91.4 Ų | 91.4 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | trans | -74.7 | 157.9 | 168 | -67.8 | 0 | 0 | 0 | 0 | 110.5 | Y313 H314 | S311-Y313 PolarHBondContact O-N 3.28Å; S311-H314 PolarHBondContact O-N 2.93Å | ||
| 312 | R | 77.8 | Confident | 72.1 | Confident | 227 Ų | 227 | 88.3 Ų | 88.3 | 86% | 0.857 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -16.2 | -176.8 | -175.6 | 173.5 | -179.2 | -173.9 | 1.8 | 116.3 | ||
| 313 | Y | 79 | Confident | 73.5 | Confident | 174 Ų | 174 | 83.4 Ų | 83.4 | 68% | 0.682 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 8.2 | -179.1 | -57.8 | -74.5 | 0 | 0 | 0 | 113.7 | S311 I325 | S311-Y313 PolarHBondContact O-N 3.28Å; Y313-I325 WeakPolarHBondContact O-CB 3.45Å; Y313-I325 WeakPolarHBondContact O-CG2 3.32Å; Y313-I325 PolarHBondContact O-N 2.99Å |
| 314 | H | 83.6 | Confident | 74.8 | Confident | 82 Ų | 82 | 79.7 Ų | 79.7 | 38% | 0.38 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 144.9 | 175.6 | -64.5 | 92.5 | 0 | 0 | 0 | 110.1 | C310 S311 C322 I323 | C310-H314 HydrophobicContact CB-CB 4.1Å; S311-H314 PolarHBondContact O-N 2.93Å; H314-C322 HydrophobicContact CB-CB 4.17Å; H314-I323 CarbonylContact C-O 3.58Å; H314-I323 WeakPolarHBondContact CA-O 3.49Å; H314-I323 WeakPolarHBondContact CB-O 3.04Å; H314-I323 PolarHBondContact CD2-O 2.85Å |
| 315 | F | 82.8 | Confident | 76.3 | Confident | 49 Ų | 49 | 81.4 Ų | 81.4 | 22% | 0.215 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 146.8 | 163.5 | -179.5 | -95.6 | 0 | 0 | 0 | 109.6 | C322 I323 A328 D340 | F315-C322 WeakPolarHBondContact O-CA 3.49Å; F315-I323 HydrophobicContact CB-CD1 4.46Å; F315-I323 HydrophobicContact CB-CG1 3.84Å; F315-I323 HydrophobicContact CD1-CD1 4.03Å; F315-I323 HydrophobicContact CD1-CG1 3.98Å; F315-I323 HydrophobicContact CG-CG1 4.39Å; F315-I323 PolarHBondContact N-O 3.35Å; F315-I323 PolarHBondContact O-N 2.82Å; F315-I323 VanDerWaalsContact O-N 3.1Å; F315-A328 HydrophobicContact CB-CB 4.1Å; F315-A328 HydrophobicContact CD1-CB 4.3Å; F315-A328 HydrophobicContact CD2-CB 3.69Å; F315-A328 HydrophobicContact CE2-CB 4.14Å; F315-A328 HydrophobicContact CG-CB 3.78Å; F315-D340 HydrophobicContact CD1-CB 4.24Å; F315-D340 HydrophobicContact CE1-CB 3.97Å |
| 316 | F | 83.4 | Confident | 77.4 | Confident | 100 Ų | 100 | 83.2 Ų | 83.2 | 44% | 0.439 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 111.8 | -179.2 | 178.6 | -83.1 | 0 | 0 | 0 | 107.6 | C310 | C310-F316 VanDerWaalsContact SG-CD2 3.55Å |
| 317 | C | 83.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 41% | 0.413 | C | S | . | . | trans | -67.7 | 154.6 | 170.4 | -49 | 0 | 0 | 0 | 0 | 109.9 | D319 G320 C321 C335 D337 | C317-D319 VanDerWaalsContact C-N 3.27Å; C317-D319 PolarHBondContact O-N 2.78Å; C317-G320 WeakPolarHBondContact O-CA 3.31Å; C317-G320 PolarHBondContact O-N 3Å; C317-C321 HydrophobicContact CB-CB 4.06Å; C317-C321 PolarHBondContact N-O 2.05Å; C317-C335 HydrophobicContact CB-CB 3.78Å; C317-C335 WeakPolarHBondContact CB-SG 3.47Å; C317-C335 VanDerWaalsContact SG-CA 3.54Å; C317-C335 WeakPolarHBondContact SG-CB 3.42Å; C317-C335 CovalentContact SG-SG 2.04Å; C317-C335 PolarHBondContact SG-SG 3.47Å; C317-D337 WeakPolarHBondContact CB-OD1 3.35Å | ||
| 318 | D | 81 | Confident | 79.2 | Confident | 127 Ų | 127 | 76.8 Ų | 76.8 | 68% | 0.679 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -28.2 | 179.3 | -68.6 | -50.3 | 0 | 0 | 0 | 112 | G320 D337 S339 | D318-G320 PolarHBondContact O-N 3.14Å; D318-G320 VanDerWaalsContact O-N 3.08Å; D318-D337 WeakPolarHBondContact CA-OD2 3.42Å; D318-D337 PolarHBondContact N-OD2 2.79Å; D318-S339 VanDerWaalsContact OD2-CB 3.24Å; D318-S339 WeakPolarHBondContact OD2-CB 3.35Å; D318-S339 PolarHBondContact OD2-OG 3Å |
| 319 | D | 72.8 | Confident | 80.2 | Confident | 93 Ų | 93 | 72.8 Ų | 72.8 | 50% | 0.497 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -4.3 | 166.7 | -86.4 | -9 | 0 | 0 | 0 | 113.7 | C317 C321 D337 | C317-D319 VanDerWaalsContact C-N 3.27Å; C317-D319 PolarHBondContact O-N 2.78Å; D319-C321 VanDerWaalsContact C-N 3.32Å; D319-D337 HydrophobicContact CB-CB 4.25Å; D319-D337 PolarHBondContact N-OD2 3.37Å |
| 320 | G | 75.8 | Confident | 80.6 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | S | Bend | trans | 78.1 | 15.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L307 C317 D318 | L307-G320 CarbonylContact C-O 3.52Å; C317-G320 WeakPolarHBondContact O-CA 3.31Å; C317-G320 PolarHBondContact O-N 3Å; D318-G320 PolarHBondContact O-N 3.14Å; D318-G320 VanDerWaalsContact O-N 3.08Å |
| 321 | C | 81.8 | Confident | 80.7 | Confident | 23 Ų | 23 | 72.3 Ų | 72.3 | 16% | 0.155 | 38% | 0.383 | C | S | . | . | trans | -78.8 | 158.4 | 168.5 | -105.7 | 0 | 0 | 0 | 0 | 111.6 | C306 C317 D319 | C306-C321 WeakPolarHBondContact CA-SG 3.49Å; C306-C321 HydrophobicContact CB-CB 3.86Å; C306-C321 WeakPolarHBondContact CB-SG 3.35Å; C306-C321 WeakPolarHBondContact SG-CB 3.34Å; C306-C321 CovalentContact SG-SG 2.04Å; C306-C321 PolarHBondContact SG-SG 2.75Å; C317-C321 HydrophobicContact CB-CB 4.06Å; C317-C321 PolarHBondContact N-O 2.05Å; D319-C321 VanDerWaalsContact C-N 3.32Å | ||
| 322 | C | 84.5 | Confident | 80.8 | Confident | 44 Ų | 44 | 72.7 Ų | 72.7 | 30% | 0.297 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 122.4 | 179.1 | -53.5 | 0 | 0 | 0 | 0 | 110.1 | L307 C310 H314 F315 | L307-C322 PolarHBondContact O-SG 3.25Å; C310-C322 WeakPolarHBondContact CA-SG 3.25Å; C310-C322 HydrophobicContact CB-CB 3.93Å; C310-C322 WeakPolarHBondContact CB-SG 3.5Å; C310-C322 VanDerWaalsContact SG-CA 3.54Å; C310-C322 WeakPolarHBondContact SG-CB 3.34Å; C310-C322 CovalentContact SG-SG 2.03Å; C310-C322 PolarHBondContact SG-SG 3.41Å; H314-C322 HydrophobicContact CB-CB 4.17Å; F315-C322 WeakPolarHBondContact O-CA 3.49Å |
| 323 | I | 79.1 | Confident | 81.2 | Confident | 12 Ų | 12 | 68.8 Ų | 68.8 | 6% | 0.062 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 164.8 | 170.9 | 67.9 | 172.3 | 0 | 0 | 0 | 109.5 | H314 F315 L327 Q334 D340 | H314-I323 CarbonylContact C-O 3.58Å; H314-I323 WeakPolarHBondContact CA-O 3.49Å; H314-I323 WeakPolarHBondContact CB-O 3.04Å; H314-I323 PolarHBondContact CD2-O 2.85Å; F315-I323 HydrophobicContact CB-CD1 4.46Å; F315-I323 HydrophobicContact CB-CG1 3.84Å; F315-I323 HydrophobicContact CD1-CD1 4.03Å; F315-I323 HydrophobicContact CD1-CG1 3.98Å; F315-I323 HydrophobicContact CG-CG1 4.39Å; F315-I323 PolarHBondContact N-O 3.35Å; F315-I323 PolarHBondContact O-N 2.82Å; F315-I323 VanDerWaalsContact O-N 3.1Å; I323-L327 HydrophobicContact CB-CD1 4.4Å; I323-L327 HydrophobicContact CD1-CB 4.12Å; I323-Q334 HydrophobicContact CD1-CB 4.26Å; I323-Q334 HydrophobicContact CG2-CB 4.12Å; I323-D340 HydrophobicContact CD1-CB 3.55Å; I323-D340 WeakPolarHBondContact CD1-OD2 3.11Å |
| 324 | D | 81.3 | Confident | 81.3 | Confident | 69 Ų | 69 | 61.8 Ų | 61.8 | 37% | 0.369 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 142.4 | 174.2 | -162.3 | -59.3 | 0 | 0 | 0 | 110.4 | T326 L327 | D324-T326 PolarHBondContact O-N 3.01Å; D324-T326 VanDerWaalsContact O-N 3.15Å; D324-T326 PolarHBondContact OD1-N 3.36Å; D324-T326 PolarHBondContact OD1-OG1 3.28Å; D324-L327 HydrophobicContact CB-CD1 3.81Å; D324-L327 HydrophobicContact CB-CG 4.11Å; D324-L327 WeakPolarHBondContact O-CB 3.48Å; D324-L327 PolarHBondContact O-N 3.02Å; D324-L327 VanDerWaalsContact O-N 3.08Å |
| 325 | I | 81 | Confident | 81.2 | Confident | 98 Ų | 98 | 58.1 Ų | 58.1 | 50% | 0.503 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.2 | 178.4 | -165.6 | 169.8 | 0 | 0 | 0 | 113.3 | Y313 L327 | Y313-I325 WeakPolarHBondContact O-CB 3.45Å; Y313-I325 WeakPolarHBondContact O-CG2 3.32Å; Y313-I325 PolarHBondContact O-N 2.99Å; I325-L327 PolarHBondContact O-N 2.83Å |
| 326 | T | 79.7 | Confident | 81.1 | Confident | 106 Ų | 106 | 60 Ų | 60 | 65% | 0.65 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -11 | 176.3 | 62.3 | 0 | 0 | 0 | 0 | 114.4 | D324 | D324-T326 PolarHBondContact O-N 3.01Å; D324-T326 VanDerWaalsContact O-N 3.15Å; D324-T326 PolarHBondContact OD1-N 3.36Å; D324-T326 PolarHBondContact OD1-OG1 3.28Å |
| 327 | L | 80 | Confident | 80.9 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 11% | 0.105 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -24.3 | -173.7 | -58.7 | 169.9 | 0 | 0 | 0 | 112.4 | Y301 I323 D324 I325 C329 D330 Q334 | Y301-L327 HydrophobicContact CE1-CD1 3.46Å; Y301-L327 VanDerWaalsContact CE1-CD1 3.46Å; Y301-L327 WeakPolarHBondContact OH-CD1 3.37Å; Y301-L327 WeakPolarHBondContact OH-CD2 3.36Å; I323-L327 HydrophobicContact CB-CD1 4.4Å; I323-L327 HydrophobicContact CD1-CB 4.12Å; D324-L327 HydrophobicContact CB-CD1 3.81Å; D324-L327 HydrophobicContact CB-CG 4.11Å; D324-L327 WeakPolarHBondContact O-CB 3.48Å; D324-L327 PolarHBondContact O-N 3.02Å; D324-L327 VanDerWaalsContact O-N 3.08Å; I325-L327 PolarHBondContact O-N 2.83Å; L327-C329 PolarHBondContact O-N 2.99Å; L327-D330 WeakPolarHBondContact O-CB 3.07Å; L327-D330 PolarHBondContact O-N 2.93Å; L327-Q334 HydrophobicContact CB-CG 4.48Å; L327-Q334 PolarHBondContact O-OE1 2.81Å |
| 328 | A | 84 | Confident | 80.7 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 127.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F315 | F315-A328 HydrophobicContact CB-CB 4.1Å; F315-A328 HydrophobicContact CD1-CB 4.3Å; F315-A328 HydrophobicContact CD2-CB 3.69Å; F315-A328 HydrophobicContact CE2-CB 4.14Å; F315-A328 HydrophobicContact CG-CB 3.78Å |
| 329 | C | 85.6 | Confident | 80.9 | Confident | 55 Ų | 55 | 52 Ų | 52 | 37% | 0.372 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 33.7 | -175.3 | -47.7 | 0 | 0 | 0 | 0 | 115 | L327 D340 E341 C344 | L327-C329 PolarHBondContact O-N 2.99Å; C329-D340 PolarHBondContact N-O 3.36Å; C329-E341 VanDerWaalsContact C-OE1 3.24Å; C329-E341 WeakPolarHBondContact CA-OE1 3.08Å; C329-E341 PolarHBondContact N-OE1 2.86Å; C329-E341 VanDerWaalsContact N-OE1 3.08Å; C329-C344 WeakPolarHBondContact CA-SG 3.35Å; C329-C344 HydrophobicContact CB-CB 3.78Å; C329-C344 WeakPolarHBondContact CB-SG 3.36Å; C329-C344 VanDerWaalsContact SG-CA 3.6Å; C329-C344 WeakPolarHBondContact SG-CB 3.21Å; C329-C344 CovalentContact SG-SG 2.02Å; C329-C344 PolarHBondContact SG-SG 2.83Å |
| 330 | D | 81.8 | Confident | 81.5 | Confident | 77 Ų | 77 | 47.7 Ų | 47.7 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -90.5 | -6.6 | 173.6 | 89.3 | -5 | 0 | 0 | 0 | 114.1 | L327 V332 Q334 E341 | L327-D330 WeakPolarHBondContact O-CB 3.07Å; L327-D330 PolarHBondContact O-N 2.93Å; D330-V332 WeakPolarHBondContact OD1-CB 3.46Å; D330-V332 PolarHBondContact OD1-N 3.32Å; D330-Q334 VanDerWaalsContact CG-NE2 3.25Å; D330-Q334 PolarHBondContact OD1-NE2 3.42Å; D330-Q334 PolarHBondContact OD2-NE2 3.45Å; D330-Q334 VanDerWaalsContact OD2-NE2 3.15Å; D330-E341 PolarHBondContact N-OE1 3.47Å |
| 331 | G | 78.1 | Confident | 82.2 | Confident | 60 Ų | 60 | 49.7 Ų | 49.7 | 62% | 0.619 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 92.5 | 4.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E341 | G331-E341 WeakPolarHBondContact CA-OE2 3.45Å; G331-E341 PolarHBondContact N-OE1 3.37Å; G331-E341 PolarHBondContact N-OE2 3.05Å; G331-E341 VanDerWaalsContact N-OE2 3.08Å |
| 332 | V | 80.7 | Confident | 82.3 | Confident | 86 Ų | 86 | 53.8 Ų | 53.8 | 52% | 0.521 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -125 | 137.7 | 177.3 | 178 | 0 | 0 | 0 | 0 | 108.8 | D330 Q334 E341 | D330-V332 WeakPolarHBondContact OD1-CB 3.46Å; D330-V332 PolarHBondContact OD1-N 3.32Å; V332-Q334 PolarHBondContact O-N 2.96Å; V332-Q334 PolarHBondContact O-NE2 2.99Å; V332-Q334 PolarHBondContact O-OE1 3.12Å; V332-E341 WeakPolarHBondContact O-CG 3.37Å |
| 333 | Q | 84.3 | Confident | 81.6 | Confident | 145 Ų | 145 | 59.1 Ų | 59.1 | 68% | 0.678 | 34% | 0.336 | S | S | * | . | trans | -80 | 115.1 | 174.8 | -69.6 | 164.8 | 59.8 | 0 | 0 | 109.7 | E341 | Q333-E341 HydrophobicContact CG-CB 4.5Å; Q333-E341 HydrophobicContact CG-CG 4.3Å | ||
| 334 | Q | 81.5 | Confident | 81.5 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | trans | -107.1 | -28.1 | 169 | -50.6 | 90.3 | 21.5 | 0 | 0 | 112.5 | Y301 I323 L327 D330 V332 D340 | Y301-Q334 HydrophobicContact CD2-CG 4.37Å; Y301-Q334 HydrophobicContact CE2-CB 4.49Å; Y301-Q334 HydrophobicContact CE2-CG 3.85Å; I323-Q334 HydrophobicContact CD1-CB 4.26Å; I323-Q334 HydrophobicContact CG2-CB 4.12Å; L327-Q334 HydrophobicContact CB-CG 4.48Å; L327-Q334 PolarHBondContact O-OE1 2.81Å; D330-Q334 VanDerWaalsContact CG-NE2 3.25Å; D330-Q334 PolarHBondContact OD1-NE2 3.42Å; D330-Q334 PolarHBondContact OD2-NE2 3.45Å; D330-Q334 VanDerWaalsContact OD2-NE2 3.15Å; V332-Q334 PolarHBondContact O-N 2.96Å; V332-Q334 PolarHBondContact O-NE2 2.99Å; V332-Q334 PolarHBondContact O-OE1 3.12Å; Q334-D340 WeakPolarHBondContact CA-OD2 3.11Å; Q334-D340 PolarHBondContact N-OD2 3.21Å; Q334-D340 PolarHBondContact OE1-OD2 3.03Å | ||
| 335 | C | 81.5 | Confident | 80.7 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.034 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -65.2 | 132.8 | 166.2 | -76.1 | 0 | 0 | 0 | 0 | 109.5 | C317 D337 G338 D340 | C317-C335 HydrophobicContact CB-CB 3.78Å; C317-C335 WeakPolarHBondContact CB-SG 3.47Å; C317-C335 VanDerWaalsContact SG-CA 3.54Å; C317-C335 WeakPolarHBondContact SG-CB 3.42Å; C317-C335 CovalentContact SG-SG 2.04Å; C317-C335 PolarHBondContact SG-SG 3.47Å; C335-D337 VanDerWaalsContact CB-OD1 3.31Å; C335-D337 WeakPolarHBondContact CB-OD1 3.47Å; C335-D337 PolarHBondContact O-N 3.33Å; C335-D337 VanDerWaalsContact O-N 3.17Å; C335-G338 PolarHBondContact O-N 2.8Å; C335-D340 HydrophobicContact CB-CB 4.14Å; C335-D340 WeakPolarHBondContact CB-OD1 3.36Å; C335-D340 PolarHBondContact N-OD2 2.79Å; C335-D340 VanDerWaalsContact SG-CB 3.58Å |
| 336 | P | 80.4 | Confident | 79.5 | Confident | 88 Ų | 88 | 67.4 Ų | 67.4 | 57% | 0.571 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -27.7 | 176.8 | -24 | 34.6 | 0 | 0 | 0 | 114.2 | ||
| 337 | D | 79.1 | Confident | 78.5 | Confident | 42 Ų | 42 | 68.5 Ų | 68.5 | 23% | 0.225 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -16.5 | 177.3 | 42.4 | -32.9 | 0 | 0 | 0 | 114.2 | C317 D318 D319 C335 S339 | C317-D337 WeakPolarHBondContact CB-OD1 3.35Å; D318-D337 WeakPolarHBondContact CA-OD2 3.42Å; D318-D337 PolarHBondContact N-OD2 2.79Å; D319-D337 HydrophobicContact CB-CB 4.25Å; D319-D337 PolarHBondContact N-OD2 3.37Å; C335-D337 VanDerWaalsContact CB-OD1 3.31Å; C335-D337 WeakPolarHBondContact CB-OD1 3.47Å; C335-D337 PolarHBondContact O-N 3.33Å; C335-D337 VanDerWaalsContact O-N 3.17Å; D337-S339 VanDerWaalsContact C-N 3.26Å; D337-S339 PolarHBondContact O-N 3.31Å; D337-S339 WeakPolarHBondContact OD2-CB 3.46Å; D337-S339 PolarHBondContact OD2-OG 2.96Å |
| 338 | G | 79.8 | Confident | 77.3 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 3% | 0.031 | 41% | 0.408 | C | S | . | . | trans | 73.8 | 6.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | C335 D340 E341 D342 | C335-G338 PolarHBondContact O-N 2.8Å; G338-D340 WeakPolarHBondContact CA-OD1 3.34Å; G338-D340 PolarHBondContact O-N 3.22Å; G338-D340 VanDerWaalsContact O-N 3.14Å; G338-E341 PolarHBondContact O-N 3.22Å; G338-D342 PolarHBondContact O-N 3.4Å; G338-D342 VanDerWaalsContact O-N 3.13Å | ||
| 339 | S | 86.1 | Confident | 75.8 | Confident | 16 Ų | 16 | 77.3 Ų | 77.3 | 11% | 0.112 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.7 | -14.7 | -180 | -71.8 | 0 | 0 | 0 | 0 | 115 | D318 D337 E341 | D318-S339 VanDerWaalsContact OD2-CB 3.24Å; D318-S339 WeakPolarHBondContact OD2-CB 3.35Å; D318-S339 PolarHBondContact OD2-OG 3Å; D337-S339 VanDerWaalsContact C-N 3.26Å; D337-S339 PolarHBondContact O-N 3.31Å; D337-S339 WeakPolarHBondContact OD2-CB 3.46Å; D337-S339 PolarHBondContact OD2-OG 2.96Å; S339-E341 VanDerWaalsContact C-N 3.29Å |
| 340 | D | 86.3 | Confident | 74 | Confident | 1 Ų | 1 | 82.6 Ų | 82.6 | 1% | 0.005 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -67.2 | -26.1 | 169.8 | 48 | -4 | 0 | 0 | 0 | 113.9 | F315 I323 C329 Q334 C335 G338 C344 | F315-D340 HydrophobicContact CD1-CB 4.24Å; F315-D340 HydrophobicContact CE1-CB 3.97Å; I323-D340 HydrophobicContact CD1-CB 3.55Å; I323-D340 WeakPolarHBondContact CD1-OD2 3.11Å; C329-D340 PolarHBondContact N-O 3.36Å; Q334-D340 WeakPolarHBondContact CA-OD2 3.11Å; Q334-D340 PolarHBondContact N-OD2 3.21Å; Q334-D340 PolarHBondContact OE1-OD2 3.03Å; C335-D340 HydrophobicContact CB-CB 4.14Å; C335-D340 WeakPolarHBondContact CB-OD1 3.36Å; C335-D340 PolarHBondContact N-OD2 2.79Å; C335-D340 VanDerWaalsContact SG-CB 3.58Å; G338-D340 WeakPolarHBondContact CA-OD1 3.34Å; G338-D340 PolarHBondContact O-N 3.22Å; G338-D340 VanDerWaalsContact O-N 3.14Å; D340-C344 PolarHBondContact O-SG 3.02Å |
| 341 | E | 88.7 | Confident | 72.1 | Confident | 43 Ų | 43 | 90.5 Ų | 90.5 | 20% | 0.201 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -107.7 | -33.5 | 179.8 | -69.2 | -60.2 | 130.7 | 0 | 0 | 112.9 | C329 D330 G331 V332 Q333 G338 S339 F343 C344 | C329-E341 VanDerWaalsContact C-OE1 3.24Å; C329-E341 WeakPolarHBondContact CA-OE1 3.08Å; C329-E341 PolarHBondContact N-OE1 2.86Å; C329-E341 VanDerWaalsContact N-OE1 3.08Å; D330-E341 PolarHBondContact N-OE1 3.47Å; G331-E341 WeakPolarHBondContact CA-OE2 3.45Å; G331-E341 PolarHBondContact N-OE1 3.37Å; G331-E341 PolarHBondContact N-OE2 3.05Å; G331-E341 VanDerWaalsContact N-OE2 3.08Å; V332-E341 WeakPolarHBondContact O-CG 3.37Å; Q333-E341 HydrophobicContact CG-CB 4.5Å; Q333-E341 HydrophobicContact CG-CG 4.3Å; G338-E341 PolarHBondContact O-N 3.22Å; S339-E341 VanDerWaalsContact C-N 3.29Å; E341-F343 PolarHBondContact O-N 2.71Å; E341-C344 VanDerWaalsContact O-CB 3.27Å; E341-C344 WeakPolarHBondContact O-CB 3.19Å; E341-C344 PolarHBondContact O-N 2.7Å; E341-C344 PolarHBondContact O-SG 3.01Å |
| 342 | D | 83.9 | Confident | 70.3 | Confident | 110 Ų | 110 | 97.3 Ų | 97.3 | 59% | 0.588 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.3 | -32 | -177.3 | -86.9 | -16.5 | 0 | 0 | 0 | 113.4 | G338 C344 | G338-D342 PolarHBondContact O-N 3.4Å; G338-D342 VanDerWaalsContact O-N 3.13Å; D342-C344 PolarHBondContact O-N 3.38Å |
| 343 | F | 70.3 | Confident | 68.2 | Low | 155 Ų | 155 | 101.4 Ų | 101.4 | 68% | 0.68 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -75.4 | -11.1 | 178.9 | -166.8 | -103.2 | 0 | 0 | 0 | 113.7 | E341 Q345 | E341-F343 PolarHBondContact O-N 2.71Å; F343-Q345 PolarHBondContact O-N 3.36Å; F343-Q345 VanDerWaalsContact O-N 3.15Å |
| 344 | C | 76.6 | Confident | 65.7 | Low | 27 Ų | 27 | 99.7 Ų | 99.7 | 18% | 0.182 | 52% | 0.515 | C | S | . | . | G | 310 helix | trans | -71.7 | -11.3 | -170.8 | -57.2 | 0 | 0 | 0 | 0 | 114.6 | C329 D340 E341 D342 N346 L347 | C329-C344 WeakPolarHBondContact CA-SG 3.35Å; C329-C344 HydrophobicContact CB-CB 3.78Å; C329-C344 WeakPolarHBondContact CB-SG 3.36Å; C329-C344 VanDerWaalsContact SG-CA 3.6Å; C329-C344 WeakPolarHBondContact SG-CB 3.21Å; C329-C344 CovalentContact SG-SG 2.02Å; C329-C344 PolarHBondContact SG-SG 2.83Å; D340-C344 PolarHBondContact O-SG 3.02Å; E341-C344 VanDerWaalsContact O-CB 3.27Å; E341-C344 WeakPolarHBondContact O-CB 3.19Å; E341-C344 PolarHBondContact O-N 2.7Å; E341-C344 PolarHBondContact O-SG 3.01Å; D342-C344 PolarHBondContact O-N 3.38Å; C344-N346 PolarHBondContact O-N 3.47Å; C344-L347 PolarHBondContact O-N 2.8Å |
| 345 | Q | 65.8 | Low | 63.5 | Low | 170 Ų | 170 | 104 Ų | 104 | 79% | 0.794 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -61.4 | -6.9 | -176.6 | -58.6 | -172.8 | 19.9 | 0 | 0 | 114.8 | F343 | F343-Q345 PolarHBondContact O-N 3.36Å; F343-Q345 VanDerWaalsContact O-N 3.15Å |
| 346 | N | 55.9 | Low | 61.2 | Low | 156 Ų | 156 | 112.1 Ų | 112.1 | 83% | 0.834 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -120 | 6.6 | -179.5 | -115.3 | -23.1 | 0 | 0 | 0 | 115.7 | C344 | C344-N346 PolarHBondContact O-N 3.47Š|
| 347 | L | 58 | Low | 58.9 | Low | 130 Ų | 130 | 113.3 Ų | 113.3 | 68% | 0.681 | 59% | 0.585 | S | S | * | * | trans | -97.4 | 10 | 175.7 | -72.6 | 170.3 | 0 | 0 | 0 | 113.7 | C344 L349 | C344-L347 PolarHBondContact O-N 2.8Å; L347-L349 PolarHBondContact O-N 2.75Å | ||
| 348 | G | 54.8 | Low | 56.6 | Low | 70 Ų | 70 | 118.1 Ų | 118.1 | 72% | 0.722 | 62% | 0.616 | S | S | * | * | trans | -74.5 | 17.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 349 | L | 51.4 | Low | 54.2 | Low | 157 Ų | 157 | 121.8 Ų | 121.8 | 82% | 0.822 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -136.3 | 117.8 | 175 | -70.8 | 175.7 | 0 | 0 | 0 | 112.3 | L347 | L347-L349 PolarHBondContact O-N 2.75Š|
| 350 | D | 48.1 | Very low | 51.5 | Low | 166 Ų | 166 | 126.5 Ų | 126.5 | 89% | 0.888 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 58.7 | 66.2 | 166.3 | -69.2 | -41.2 | 0 | 0 | 0 | 119.3 | ||
| 351 | R | 43.1 | Very low | 49.1 | Very low | 244 Ų | 244 | 132.8 Ų | 132.8 | 92% | 0.921 | 72% | 0.72 | S | S | * | * | trans | -144.1 | 103.6 | 137 | -146.6 | 169.4 | -179.9 | -175.1 | -3.2 | 113.2 | M353 | R351-M353 PolarHBondContact O-N 3.06Š| ||
| 352 | K | 40.6 | Very low | 46.3 | Very low | 202 Ų | 202 | 135.1 Ų | 135.1 | 88% | 0.878 | 75% | 0.746 | S | S | * | * | trans | -59.4 | 98.6 | 164 | -85.9 | 179 | 168.4 | 173.3 | 0 | 109.8 | ||||
| 353 | M | 36.2 | Very low | 44 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 85% | 0.852 | 76% | 0.757 | S | S | * | * | trans | -81.2 | 131.6 | 143.2 | -166.3 | 151.7 | 77 | 0 | 0 | 107 | R351 T355 | R351-M353 PolarHBondContact O-N 3.06Å; M353-T355 PolarHBondContact O-N 3.09Å | ||
| 354 | V | 32.2 | Very low | 42.5 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | trans | -82 | 89.3 | -170.7 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | H356 | V354-H356 PolarHBondContact O-N 3.28Š| ||
| 355 | T | 35.5 | Very low | 39.9 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | trans | -75.6 | 111.4 | 168.8 | -24.1 | 0 | 0 | 0 | 0 | 109 | M353 V357 | M353-T355 PolarHBondContact O-N 3.09Å; T355-V357 VanDerWaalsContact C-N 3.32Å; T355-V357 HydrophobicContact CG2-CG2 4.34Å; T355-V357 PolarHBondContact O-N 2.89Å | ||
| 356 | H | 33.4 | Very low | 38.1 | Very low | 176 Ų | 176 | 143 Ų | 143 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | -75 | 88.3 | 167.7 | -84.9 | -86.3 | 0 | 0 | 0 | 109.3 | V354 V358 | V354-H356 PolarHBondContact O-N 3.28Å; H356-V358 PolarHBondContact O-N 3.01Å | ||
| 357 | V | 31.4 | Very low | 36.7 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -75.9 | 116.6 | 177.4 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | T355 A359 | T355-V357 VanDerWaalsContact C-N 3.32Å; T355-V357 HydrophobicContact CG2-CG2 4.34Å; T355-V357 PolarHBondContact O-N 2.89Å; V357-A359 HydrophobicContact CG1-CB 4.21Å | ||
| 358 | V | 29.8 | Very low | 35.1 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -93.2 | 106.2 | 155.4 | 176.4 | 0 | 0 | 0 | 0 | 107 | H356 | H356-V358 PolarHBondContact O-N 3.01Š| ||
| 359 | A | 30.6 | Very low | 34.3 | Very low | 80 Ų | 80 | 142.2 Ų | 142.2 | 66% | 0.661 | 80% | 0.801 | S | S | * | * | trans | -86.1 | 147.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V357 | V357-A359 HydrophobicContact CG1-CB 4.21Š| ||
| 360 | S | 28.4 | Very low | 33 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -137.6 | 151.1 | 155.7 | -82.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 361 | P | 36.9 | Very low | 32.1 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -88.2 | 157.8 | -148.7 | 33.3 | -37 | 0 | 0 | 0 | 114.9 | ||||
| 362 | A | 29.4 | Very low | 31.3 | Very low | 91 Ų | 91 | 137 Ų | 137 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -102.5 | 141.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 363 | L | 36.7 | Very low | 30.7 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | 59.9 | 170.1 | 145.7 | -118.1 | 74.9 | 0 | 0 | 0 | 117.8 | ||||
| 364 | P | 37.1 | Very low | 30.2 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | cis | -140.2 | 164.9 | 47.2 | 39.7 | -20 | 0 | 0 | 0 | 117.7 | ||||
| 365 | R | 22.8 | Very low | 29.9 | Very low | 242 Ų | 242 | 128 Ų | 128 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | trans | -150.5 | 149.9 | 143 | -119.7 | 177.4 | -173.1 | 138.9 | 3.8 | 111.6 | ||||
| 366 | T | 27.4 | Very low | 29.4 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | trans | -124.1 | 138.3 | -156.6 | -10.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 367 | T | 26.2 | Very low | 28.9 | Very low | 140 Ų | 140 | 125.8 Ų | 125.8 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | 38.5 | 125.3 | 145.5 | 49.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 368 | G | 26.1 | Very low | 28.7 | Very low | 76 Ų | 76 | 128.1 Ų | 128.1 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -174.5 | 126.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 369 | P | 36.9 | Very low | 28.5 | Very low | 124 Ų | 124 | 127 Ų | 127 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | trans | -113.9 | 162.5 | -168.8 | 40.7 | -33.4 | 0 | 0 | 0 | 115.1 | ||||
| 370 | S | 25.1 | Very low | 28.2 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 164.7 | 142.9 | 131.1 | 56.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 371 | E | 28.5 | Very low | 27.9 | Very low | 195 Ų | 195 | 132.2 Ų | 132.2 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | trans | 73.7 | 173.2 | 148.4 | -71.2 | -179.4 | 152.4 | 0 | 0 | 121.8 | ||||
| 372 | D | 26.7 | Very low | 27.4 | Very low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | -137.2 | 162.6 | -121.7 | -160.3 | -0.6 | 0 | 0 | 0 | 113.7 | |||||
| 373 | A | 28.1 | Very low | 27.5 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 38.9 | 118 | 162.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 374 | G | 25.4 | Very low | 26.9 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | 116.9 | 118.8 | 117.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 375 | V | 26.2 | Very low | 26.4 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | 81.4 | 113.3 | 132.1 | -177.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 376 | D | 23.9 | Very low | 26.5 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | 77.1 | 144.8 | 142.3 | -82.5 | -28.5 | 0 | 0 | 0 | 127.1 | ||||
| 377 | S | 23.9 | Very low | 26.4 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | 79.5 | 94.4 | 146.8 | -67.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 378 | L | 27.1 | Very low | 26.9 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | 36.9 | 144.5 | 110.4 | -82.8 | 163.7 | 0 | 0 | 0 | 122.1 | |||||
| 379 | V | 25.1 | Very low | 26.9 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | 74.7 | 136.7 | 151.3 | 160.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 380 | E | 24.1 | Very low | 26.4 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 65% | 0.654 | 76% | 0.764 | S | S | * | * | cis | -148.1 | 133.5 | -1.1 | -123.4 | -178.8 | 122.6 | 0 | 0 | 106.8 | ||||
| 381 | K | 22.6 | Very low | 27.2 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | 77.3 | 142.7 | 91.7 | -178.4 | -171.1 | 176.8 | -177.8 | 0 | 117.3 | |||||
| 382 | S | 25.9 | Very low | 27.4 | Very low | 85 Ų | 85 | 129.7 Ų | 129.7 | 59% | 0.594 | 76% | 0.756 | S | S | * | * | trans | 72.7 | 145.9 | 163.3 | -87 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 383 | Q | 30.8 | Very low | 27.2 | Very low | 169 Ų | 169 | 127.1 Ų | 127.1 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | cis | -168.7 | 155 | -22 | -125.8 | 172.5 | 10.7 | 0 | 0 | 110 | ||||
| 384 | K | 25.2 | Very low | 27.1 | Very low | 184 Ų | 184 | 130.9 Ų | 130.9 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | 72.7 | 98.8 | 141.6 | -161.4 | 171.2 | -173.5 | 179.6 | 0 | 120.6 | ||||
| 385 | A | 25.6 | Very low | 27.1 | Very low | 86 Ų | 86 | 132.8 Ų | 132.8 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | 44.5 | 134.8 | 125 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 386 | T | 25.4 | Very low | 27.1 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | 176.8 | 131.6 | 104.7 | -71.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 387 | A | 26.2 | Very low | 27.2 | Very low | 83 Ų | 83 | 132.4 Ų | 132.4 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | trans | -91.5 | -177.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 388 | P | 36.1 | Very low | 27.2 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | cis | -135.7 | -178.6 | 0.7 | 42 | -24.7 | 0 | 0 | 0 | 114.2 | ||||
| 389 | N | 26.5 | Very low | 27.2 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | -177.8 | 158.2 | 117.8 | -95.8 | -42.1 | 0 | 0 | 0 | 114.4 | |||||
| 390 | K | 26.9 | Very low | 27.1 | Very low | 199 Ų | 199 | 142.1 Ų | 142.1 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | -78.8 | 165.7 | -175.3 | -114.7 | -163.9 | 161.9 | 178.4 | 0 | 113.4 | ||||
| 391 | P | 40.5 | Very low | 27.2 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | trans | -85.5 | -175.8 | -179 | 39.5 | -36.4 | 0 | 0 | 0 | 112 | ||||
| 392 | P | 32.5 | Very low | 27.4 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | -151.5 | 176.5 | 111.9 | 40 | -24.3 | 0 | 0 | 0 | 117.2 | |||||
| 393 | A | 22.7 | Very low | 27.4 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | 105.8 | 135.1 | 137.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 394 | L | 27.2 | Very low | 27.2 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | trans | -101.2 | 150.7 | 173.2 | -76.8 | 124.2 | 0 | 0 | 0 | 111.5 | ||||
| 395 | S | 24.9 | Very low | 27.2 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -172.5 | 113 | 147.6 | 52.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 396 | N | 25.4 | Very low | 27.2 | Very low | 145 Ų | 145 | 145 Ų | 145 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | 83.5 | 128 | 73.5 | -87.2 | -13.6 | 0 | 0 | 0 | 115.9 | |||||
| 397 | T | 26.1 | Very low | 27 | Very low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | 64.4 | 149.2 | 156.1 | 44.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 398 | E | 24.7 | Very low | 27.7 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | cis | -152.4 | 171.1 | 19.7 | -166.6 | 136.2 | 101.4 | 0 | 0 | 114.2 | ||||
| 399 | K | 26.3 | Very low | 27.3 | Very low | 191 Ų | 191 | 147 Ų | 147 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | -82.1 | 159.6 | 174.2 | -75.3 | 172.6 | 169.3 | 171.8 | 0 | 113.6 | ||||
| 400 | R | 22.9 | Very low | 27.3 | Very low | 215 Ų | 215 | 145 Ų | 145 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | 165.7 | 118.9 | 107.5 | -175.7 | 172 | -65.7 | -164.6 | 1.9 | 115.9 | |||||
| 401 | N | 26.1 | Very low | 27.2 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 67% | 0.668 | 79% | 0.788 | S | S | * | * | trans | 43 | 142.4 | 141.9 | -49.2 | -2.8 | 0 | 0 | 0 | 121.5 | ||||
| 402 | H | 27.9 | Very low | 26.7 | Very low | 159 Ų | 159 | 146 Ų | 146 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | -170 | 137.8 | 69.9 | -91.3 | -89.1 | 0 | 0 | 0 | 114.6 | |||||
| 403 | S | 25.7 | Very low | 26.5 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 33.6 | 150.4 | 141.6 | 68.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 404 | A | 27 | Very low | 27.2 | Very low | 91 Ų | 91 | 148 Ų | 148 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | cis | -165.7 | 161.4 | 13.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 405 | F | 24 | Very low | 27.1 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | 66 | 120.1 | 134.9 | -152.4 | -102.4 | 0 | 0 | 0 | 123.4 | ||||
| 406 | W | 25.1 | Very low | 27.3 | Very low | 234 Ų | 234 | 149.2 Ų | 149.2 | 89% | 0.886 | 79% | 0.786 | S | S | * | * | -176.4 | 138.8 | 115.9 | -98.6 | 96.1 | 0 | 0 | 0 | 109.8 | |||||
| 407 | G | 22.6 | Very low | 28 | Very low | 57 Ų | 57 | 148.1 Ų | 148.1 | 59% | 0.588 | 79% | 0.787 | S | S | * | * | trans | -99.2 | -155 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 408 | P | 40.1 | Very low | 28.1 | Very low | 134 Ų | 134 | 149.1 Ų | 149.1 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | cis | -132.9 | -140.6 | 6.6 | 41 | -20.5 | 0 | 0 | 0 | 112 | ||||
| 409 | E | 28 | Very low | 28.1 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | -167.1 | 146.4 | -84.2 | -176.5 | 166 | 121 | 0 | 0 | 109.4 | |||||
| 410 | S | 26.2 | Very low | 28 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 169.6 | 148.1 | 141 | 41.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 411 | Q | 24.9 | Very low | 28.3 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | -114 | 173.2 | 170.6 | -63.4 | 168.1 | 24.7 | 0 | 0 | 108.3 | ||||
| 412 | I | 29.5 | Very low | 28.4 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | 167.9 | 131.2 | 98.9 | -93.5 | 171 | 0 | 0 | 0 | 113.2 | |||||
| 413 | I | 28.6 | Very low | 28.4 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 66.1 | 142.3 | 140.4 | -63 | 178.9 | 0 | 0 | 0 | 124.4 | ||||
| 414 | P | 38 | Very low | 28.5 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | trans | -111.1 | 172 | 177.8 | 43.1 | -35.9 | 0 | 0 | 0 | 116.3 | ||||
| 415 | V | 24.5 | Very low | 28.7 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -147.2 | 145.8 | 172.4 | 176.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 416 | M | 28.9 | Very low | 29 | Very low | 161 Ų | 161 | 148.7 Ų | 148.7 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -100.9 | 162 | 172.7 | -91.1 | -80.6 | -163.8 | 0 | 0 | 111.9 | ||||
| 417 | P | 41.5 | Very low | 29.3 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | -148 | 158.8 | 106 | 38.2 | -23 | 0 | 0 | 0 | 116.4 | |||||
| 418 | D | 26.7 | Very low | 29.7 | Very low | 147 Ų | 147 | 151.9 Ų | 151.9 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -75.1 | 148.6 | 166.4 | -78 | -57.3 | 0 | 0 | 0 | 113 | ||||
| 419 | S | 25 | Very low | 29.3 | Very low | 107 Ų | 107 | 153.8 Ų | 153.8 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | 158.5 | 147.1 | 110.8 | 56.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 420 | S | 25.4 | Very low | 29.4 | Very low | 100 Ų | 100 | 152.1 Ų | 152.1 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | 77 | 97.1 | 150.5 | 73.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 421 | S | 27.5 | Very low | 29.6 | Very low | 114 Ų | 114 | 156.9 Ų | 156.9 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | 86.1 | 151.7 | 117.3 | 82.4 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 422 | S | 28.4 | Very low | 29.8 | Very low | 103 Ų | 103 | 156 Ų | 156 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | 83.1 | 87.4 | 152.5 | -143.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 423 | R | 27.8 | Very low | 29.8 | Very low | 232 Ų | 232 | 158.6 Ų | 158.6 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | 40 | 112.7 | 110.2 | -174.4 | -164.6 | -115.8 | 179.6 | -0.5 | 116.4 | |||||
| 424 | K | 28.9 | Very low | 29.9 | Very low | 191 Ų | 191 | 159.6 Ų | 159.6 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | 166.9 | 148.2 | 107.2 | -164 | 164.8 | -173.8 | 177.8 | 0 | 113 | |||||
| 425 | D | 31.9 | Very low | 29.7 | Very low | 145 Ų | 145 | 159.9 Ų | 159.9 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -67.1 | 150 | -179.7 | -41.6 | -100.1 | 0 | 0 | 0 | 115.5 | ||||
| 426 | R | 30.1 | Very low | 30.2 | Very low | 239 Ų | 239 | 162.9 Ų | 162.9 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | -174.8 | 118.4 | 126.9 | -100.7 | 163.3 | 171.9 | -177.2 | -5.5 | 108.5 | |||||
| 427 | K | 30.7 | Very low | 30.3 | Very low | 187 Ų | 187 | 158.9 Ų | 158.9 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | 92.4 | 87.4 | 62.6 | -167.1 | -176.9 | -178 | -174.1 | 0 | 111.9 | |||||
| 428 | E | 31.1 | Very low | 29.9 | Very low | 172 Ų | 172 | 161.4 Ų | 161.4 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 10.2 | 118.8 | 133.2 | -160.2 | 170.8 | -167.7 | 0 | 0 | 117 | ||||
| 429 | E | 32.5 | Very low | 30.1 | Very low | 174 Ų | 174 | 157.5 Ų | 157.5 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -77.4 | 134.4 | 172.1 | -59.8 | -176.2 | 141 | 0 | 0 | 110.2 | ||||
| 430 | N | 30 | Very low | 30.4 | Very low | 145 Ų | 145 | 156.7 Ų | 156.7 | 78% | 0.775 | 82% | 0.822 | S | S | * | * | trans | -145.9 | 131.6 | 165.1 | -145.4 | -17.2 | 0 | 0 | 0 | 109.6 | ||||
| 431 | Y | 30.2 | Very low | 30.8 | Very low | 217 Ų | 217 | 155.8 Ų | 155.8 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | trans | -74.9 | 138.5 | -170.1 | -79.6 | -106.4 | 0 | 0 | 0 | 111.3 | ||||
| 432 | I | 29.6 | Very low | 31.3 | Very low | 163 Ų | 163 | 153.7 Ų | 153.7 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | trans | -119.5 | 134.6 | 172.7 | -68.7 | 177.3 | 0 | 0 | 0 | 108.8 | ||||
| 433 | F | 28.5 | Very low | 31.4 | Very low | 201 Ų | 201 | 158.2 Ų | 158.2 | 88% | 0.882 | 83% | 0.834 | S | S | * | * | trans | -91.6 | 130.1 | 173.2 | -165.2 | -91 | 0 | 0 | 0 | 109.3 | ||||
| 434 | E | 31.4 | Very low | 32 | Very low | 171 Ų | 171 | 156.1 Ų | 156.1 | 80% | 0.799 | 83% | 0.834 | S | S | * | * | trans | -78.6 | 146.7 | 177.5 | -76.5 | -170.1 | 107.6 | 0 | 0 | 112.7 | ||||
| 435 | S | 32.6 | Very low | 32.8 | Very low | 121 Ų | 121 | 152.8 Ų | 152.8 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | trans | -148.2 | 131.7 | 142.2 | 64.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 436 | K | 35.2 | Very low | 33.1 | Very low | 208 Ų | 208 | 150.4 Ų | 150.4 | 90% | 0.904 | 83% | 0.832 | S | S | * | * | trans | -97.5 | 140.5 | -167 | 179.9 | 176.6 | 179.2 | 174.4 | 0 | 111.5 | ||||
| 437 | G | 31.8 | Very low | 33.8 | Very low | 77 Ų | 77 | 144.5 Ų | 144.5 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | -157.2 | 144.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 438 | D | 31.8 | Very low | 34.6 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 94% | 0.936 | 83% | 0.828 | S | S | * | * | trans | -115.1 | 170.6 | -156.8 | -166 | 15.7 | 0 | 0 | 0 | 113.4 | ||||
| 439 | G | 32.2 | Very low | 35.9 | Very low | 66 Ų | 66 | 141.6 Ų | 141.6 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | trans | 97.7 | 103.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 440 | G | 32 | Very low | 37.2 | Very low | 90 Ų | 90 | 136.4 Ų | 136.4 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -82.8 | -174.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 441 | G | 33.2 | Very low | 38.7 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | 120.8 | 69.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 442 | G | 36.9 | Very low | 40.3 | Very low | 70 Ų | 70 | 126.8 Ų | 126.8 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 65.6 | 112.5 | 137.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 443 | E | 30.8 | Very low | 42.1 | Very low | 198 Ų | 198 | 125.3 Ų | 125.3 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | -174.5 | 141.9 | 125.9 | -102.9 | 174.2 | 91.3 | 0 | 0 | 109.2 | |||||
| 444 | H | 40.4 | Very low | 44.4 | Very low | 188 Ų | 188 | 119.9 Ų | 119.9 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | trans | -92.7 | 137.5 | 169.4 | -88.9 | -129.4 | 0 | 0 | 0 | 108.2 | ||||
| 445 | P | 47.1 | Very low | 46.6 | Very low | 122 Ų | 122 | 117.5 Ų | 117.5 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | -150.8 | 173.7 | 93.3 | 37.9 | -20.4 | 0 | 0 | 0 | 117.1 | |||||
| 446 | A | 36.8 | Very low | 49 | Very low | 94 Ų | 94 | 114.5 Ų | 114.5 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | trans | 84.1 | 133.2 | 165 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 447 | P | 44.6 | Very low | 51.5 | Low | 116 Ų | 116 | 109.6 Ų | 109.6 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | trans | -95.9 | 125.9 | 177.8 | 35.4 | -31.5 | 0 | 0 | 0 | 113.5 | T449 | P447-T449 PolarHBondContact O-N 3.2Å; P447-T449 PolarHBondContact O-OG1 2.8Å | ||
| 448 | E | 47.7 | Very low | 54.3 | Low | 187 Ų | 187 | 107.5 Ų | 107.5 | 87% | 0.874 | 71% | 0.705 | S | S | * | * | trans | -65.2 | 113.3 | 175 | -72.6 | -62 | 154.9 | 0 | 0 | 112.7 | G450 | E448-G450 VanDerWaalsContact C-N 3.28Å; E448-G450 PolarHBondContact O-N 2.83Å; E448-G450 VanDerWaalsContact O-N 3.17Å | ||
| 449 | T | 58.1 | Low | 57.1 | Low | 110 Ų | 110 | 105 Ų | 105 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | trans | -91.9 | 49.4 | -177.1 | -40.4 | 0 | 0 | 0 | 0 | 111.9 | P447 A451 V452 | P447-T449 PolarHBondContact O-N 3.2Å; P447-T449 PolarHBondContact O-OG1 2.8Å; T449-A451 PolarHBondContact O-N 2.63Å; T449-V452 HydrophobicContact CG2-CG2 4.09Å | ||
| 450 | G | 60.9 | Low | 59.9 | Low | 66 Ų | 66 | 104.1 Ų | 104.1 | 68% | 0.68 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -18.1 | -162.2 | 0 | 0 | 0 | 0 | 0 | 118 | E448 | E448-G450 VanDerWaalsContact C-N 3.28Å; E448-G450 PolarHBondContact O-N 2.83Å; E448-G450 VanDerWaalsContact O-N 3.17Å |
| 451 | A | 61.1 | Low | 62.8 | Low | 67 Ų | 67 | 104.6 Ų | 104.6 | 55% | 0.554 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -10.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | T449 | T449-A451 PolarHBondContact O-N 2.63Š|
| 452 | V | 64.3 | Low | 65.7 | Low | 92 Ų | 92 | 104.2 Ų | 104.2 | 56% | 0.558 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -80.5 | -35.9 | -171.1 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | T449 A456 | T449-V452 HydrophobicContact CG2-CG2 4.09Å; V452-A456 VanDerWaalsContact O-CB 3.31Å; V452-A456 WeakPolarHBondContact O-CB 3.47Å; V452-A456 PolarHBondContact O-N 3.26Å |
| 453 | L | 66.1 | Low | 68.4 | Low | 132 Ų | 132 | 103.5 Ų | 103.5 | 69% | 0.691 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62.5 | -47.6 | -176.5 | -130.8 | 75.5 | 0 | 0 | 0 | 113.8 | A456 L457 | L453-A456 PolarHBondContact O-N 2.75Å; L453-L457 WeakPolarHBondContact O-CB 3.46Å; L453-L457 WeakPolarHBondContact O-CG 3.48Å; L453-L457 PolarHBondContact O-N 2.8Å |
| 454 | P | 78.6 | Confident | 71.4 | Confident | 87 Ų | 87 | 99.5 Ų | 99.5 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.4 | -39 | 180 | -20.9 | 33.7 | 0 | 0 | 0 | 112.7 | L457 G458 | P454-L457 PolarHBondContact O-N 3.17Å; P454-G458 PolarHBondContact O-N 2.95Å |
| 455 | L | 76.6 | Confident | 73.9 | Confident | 122 Ų | 122 | 95.7 Ų | 95.7 | 64% | 0.639 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.8 | -42.1 | 177.9 | -71 | 172.8 | 0 | 0 | 0 | 111.7 | G458 L459 | L455-G458 PolarHBondContact O-N 3.01Å; L455-L459 WeakPolarHBondContact O-CB 3.4Å; L455-L459 WeakPolarHBondContact O-CG 3.31Å; L455-L459 PolarHBondContact O-N 3.29Å |
| 456 | A | 83.6 | Confident | 76.2 | Confident | 57 Ų | 57 | 95.9 Ų | 95.9 | 47% | 0.471 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.8 | -41.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V452 L453 A460 | V452-A456 VanDerWaalsContact O-CB 3.31Å; V452-A456 WeakPolarHBondContact O-CB 3.47Å; V452-A456 PolarHBondContact O-N 3.26Å; L453-A456 PolarHBondContact O-N 2.75Å; A456-A460 VanDerWaalsContact O-CB 3.32Å; A456-A460 WeakPolarHBondContact O-CB 3.16Å; A456-A460 PolarHBondContact O-N 2.87Å |
| 457 | L | 87.1 | Confident | 78.9 | Confident | 105 Ų | 105 | 96.5 Ų | 96.5 | 55% | 0.55 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.6 | -43.7 | 175.2 | -74.4 | 167.4 | 0 | 0 | 0 | 112 | L453 P454 A460 I461 | L453-L457 WeakPolarHBondContact O-CB 3.46Å; L453-L457 WeakPolarHBondContact O-CG 3.48Å; L453-L457 PolarHBondContact O-N 2.8Å; P454-L457 PolarHBondContact O-N 3.17Å; L457-A460 PolarHBondContact O-N 2.81Å; L457-I461 VanDerWaalsContact O-CG1 3.27Å; L457-I461 WeakPolarHBondContact O-CG1 3.05Å; L457-I461 PolarHBondContact O-N 3.37Å |
| 458 | G | 89.8 | Confident | 81.2 | Confident | 33 Ų | 33 | 96.6 Ų | 96.6 | 34% | 0.34 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.1 | -47.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P454 L455 I461 T462 | P454-G458 PolarHBondContact O-N 2.95Å; L455-G458 PolarHBondContact O-N 3.01Å; G458-I461 PolarHBondContact O-N 2.94Å; G458-T462 WeakPolarHBondContact O-CG2 3.41Å; G458-T462 PolarHBondContact O-N 2.87Å; G458-T462 PolarHBondContact O-OG1 3.03Å |
| 459 | L | 91.9 | Very high | 83.4 | Confident | 122 Ų | 122 | 91.7 Ų | 91.7 | 64% | 0.639 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.1 | -34.2 | 177.2 | -68.2 | 175.2 | 0 | 0 | 0 | 112.9 | L455 T462 A463 | L455-L459 WeakPolarHBondContact O-CB 3.4Å; L455-L459 WeakPolarHBondContact O-CG 3.31Å; L455-L459 PolarHBondContact O-N 3.29Å; L459-T462 WeakPolarHBondContact CA-OG1 3.46Å; L459-T462 PolarHBondContact O-OG1 2.98Å; L459-T462 VanDerWaalsContact O-OG1 3.13Å; L459-A463 VanDerWaalsContact O-CB 3.25Å; L459-A463 WeakPolarHBondContact O-CB 3.49Å; L459-A463 PolarHBondContact O-N 2.86Å |
| 460 | A | 90.9 | Very high | 85 | Confident | 49 Ų | 49 | 88.6 Ų | 88.6 | 41% | 0.405 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A456 L457 L464 | A456-A460 VanDerWaalsContact O-CB 3.32Å; A456-A460 WeakPolarHBondContact O-CB 3.16Å; A456-A460 PolarHBondContact O-N 2.87Å; L457-A460 PolarHBondContact O-N 2.81Å; A460-L464 WeakPolarHBondContact O-CB 3.33Å; A460-L464 WeakPolarHBondContact O-CG 3.45Å; A460-L464 PolarHBondContact O-N 2.97Å |
| 461 | I | 93.1 | Very high | 86.3 | Confident | 99 Ų | 99 | 88.8 Ų | 88.8 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.7 | -45 | 178.1 | -68 | 163.9 | 0 | 0 | 0 | 110.8 | L457 G458 A463 L464 L465 | L457-I461 VanDerWaalsContact O-CG1 3.27Å; L457-I461 WeakPolarHBondContact O-CG1 3.05Å; L457-I461 PolarHBondContact O-N 3.37Å; G458-I461 PolarHBondContact O-N 2.94Å; I461-A463 PolarHBondContact O-N 3.34Å; I461-L464 PolarHBondContact O-N 3.36Å; I461-L465 HydrophobicContact CG2-CD1 4.1Å; I461-L465 WeakPolarHBondContact O-CG 3.21Å; I461-L465 PolarHBondContact O-N 3.2Å |
| 462 | T | 93 | Very high | 87.7 | Confident | 73 Ų | 73 | 94.2 Ų | 94.2 | 45% | 0.448 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 177.2 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | G458 L459 L464 L465 L466 | G458-T462 WeakPolarHBondContact O-CG2 3.41Å; G458-T462 PolarHBondContact O-N 2.87Å; G458-T462 PolarHBondContact O-OG1 3.03Å; L459-T462 WeakPolarHBondContact CA-OG1 3.46Å; L459-T462 PolarHBondContact O-OG1 2.98Å; L459-T462 VanDerWaalsContact O-OG1 3.13Å; T462-L464 PolarHBondContact O-N 3.45Å; T462-L465 PolarHBondContact O-N 3.41Å; T462-L466 WeakPolarHBondContact O-CG 3.48Å; T462-L466 PolarHBondContact O-N 3.49Å |
| 463 | A | 93.9 | Very high | 88.7 | Confident | 55 Ų | 55 | 94.9 Ų | 94.9 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L459 I461 L466 L467 | L459-A463 VanDerWaalsContact O-CB 3.25Å; L459-A463 WeakPolarHBondContact O-CB 3.49Å; L459-A463 PolarHBondContact O-N 2.86Å; I461-A463 PolarHBondContact O-N 3.34Å; A463-L466 PolarHBondContact O-N 2.99Å; A463-L467 WeakPolarHBondContact O-CB 3Å; A463-L467 PolarHBondContact O-N 3.33Å |
| 464 | L | 94 | Very high | 89.4 | Confident | 113 Ų | 113 | 97.3 Ų | 97.3 | 59% | 0.592 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.6 | -42.4 | 176 | -79.5 | 165.5 | 0 | 0 | 0 | 112.4 | A460 I461 T462 L467 M468 | A460-L464 WeakPolarHBondContact O-CB 3.33Å; A460-L464 WeakPolarHBondContact O-CG 3.45Å; A460-L464 PolarHBondContact O-N 2.97Å; I461-L464 PolarHBondContact O-N 3.36Å; T462-L464 PolarHBondContact O-N 3.45Å; L464-L467 PolarHBondContact O-N 3.41Å; L464-M468 VanDerWaalsContact O-CG 3.31Å; L464-M468 WeakPolarHBondContact O-CG 3.35Å; L464-M468 PolarHBondContact O-N 3.07Å |
| 465 | L | 93.8 | Very high | 89.5 | Confident | 109 Ų | 109 | 97.9 Ų | 97.9 | 57% | 0.571 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64 | -44.4 | 177 | -70.6 | 171.7 | 0 | 0 | 0 | 111.8 | I461 T462 L467 M468 V469 | I461-L465 HydrophobicContact CG2-CD1 4.1Å; I461-L465 WeakPolarHBondContact O-CG 3.21Å; I461-L465 PolarHBondContact O-N 3.2Å; T462-L465 PolarHBondContact O-N 3.41Å; L465-L467 VanDerWaalsContact C-N 3.32Å; L465-L467 PolarHBondContact O-N 3.37Å; L465-M468 PolarHBondContact O-N 2.92Å; L465-V469 WeakPolarHBondContact O-CG2 3.33Å; L465-V469 PolarHBondContact O-N 2.97Å |
| 466 | L | 94.5 | Very high | 89.7 | Confident | 125 Ų | 125 | 95.9 Ų | 95.9 | 65% | 0.654 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.1 | -39.1 | 175.4 | -70.9 | 172.5 | 0 | 0 | 0 | 112 | T462 A463 V469 A470 | T462-L466 WeakPolarHBondContact O-CG 3.48Å; T462-L466 PolarHBondContact O-N 3.49Å; A463-L466 PolarHBondContact O-N 2.99Å; L466-V469 PolarHBondContact O-N 3.34Å; L466-A470 WeakPolarHBondContact O-CB 3.33Å; L466-A470 PolarHBondContact O-N 2.88Å |
| 467 | L | 93.6 | Very high | 89.2 | Confident | 107 Ų | 107 | 100.2 Ų | 100.2 | 56% | 0.56 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.3 | -41.5 | 176.8 | -149.5 | 162.6 | 0 | 0 | 0 | 111.1 | A463 L464 L465 A470 C471 | A463-L467 WeakPolarHBondContact O-CB 3Å; A463-L467 PolarHBondContact O-N 3.33Å; L464-L467 PolarHBondContact O-N 3.41Å; L465-L467 VanDerWaalsContact C-N 3.32Å; L465-L467 PolarHBondContact O-N 3.37Å; L467-A470 PolarHBondContact O-N 3.2Å; L467-C471 WeakPolarHBondContact O-CB 3.49Å; L467-C471 PolarHBondContact O-N 2.95Å |
| 468 | M | 92.8 | Very high | 88.5 | Confident | 119 Ų | 119 | 101.5 Ų | 101.5 | 59% | 0.586 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.4 | -43.6 | 173.8 | -74.1 | -69.9 | -77 | 0 | 0 | 112.6 | L464 L465 C471 R472 | L464-M468 VanDerWaalsContact O-CG 3.31Å; L464-M468 WeakPolarHBondContact O-CG 3.35Å; L464-M468 PolarHBondContact O-N 3.07Å; L465-M468 PolarHBondContact O-N 2.92Å; M468-C471 PolarHBondContact O-N 3.5Å; M468-R472 VanDerWaalsContact O-CG 3.3Å; M468-R472 WeakPolarHBondContact O-CG 3.41Å; M468-R472 PolarHBondContact O-N 3.42Å |
| 469 | V | 93.9 | Very high | 87.4 | Confident | 83 Ų | 83 | 107.1 Ų | 107.1 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.3 | -45 | 174.9 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L465 L466 C471 R472 L473 | L465-V469 WeakPolarHBondContact O-CG2 3.33Å; L465-V469 PolarHBondContact O-N 2.97Å; L466-V469 PolarHBondContact O-N 3.34Å; V469-C471 VanDerWaalsContact C-N 3.34Å; V469-C471 PolarHBondContact O-N 3.37Å; V469-R472 PolarHBondContact O-N 3.23Å; V469-L473 HydrophobicContact CG1-CD1 3.9Å; V469-L473 HydrophobicContact CG1-CG 4.37Å; V469-L473 WeakPolarHBondContact O-CB 3.45Å; V469-L473 WeakPolarHBondContact O-CG 3.39Å; V469-L473 PolarHBondContact O-N 2.88Å |
| 470 | A | 91.4 | Very high | 86 | Confident | 45 Ų | 45 | 107.1 Ų | 107.1 | 37% | 0.372 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.4 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L466 L467 R474 | L466-A470 WeakPolarHBondContact O-CB 3.33Å; L466-A470 PolarHBondContact O-N 2.88Å; L467-A470 PolarHBondContact O-N 3.2Å; A470-R474 WeakPolarHBondContact O-CB 3.35Å; A470-R474 VanDerWaalsContact O-CG 3.27Å; A470-R474 WeakPolarHBondContact O-CG 3.26Å; A470-R474 PolarHBondContact O-N 3.44Å |
| 471 | C | 88.3 | Confident | 84.6 | Confident | 70 Ų | 70 | 113.6 Ų | 113.6 | 47% | 0.473 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.5 | -44.4 | 173.6 | -81.8 | 0 | 0 | 0 | 0 | 112.3 | L467 M468 V469 R474 L475 | L467-C471 WeakPolarHBondContact O-CB 3.49Å; L467-C471 PolarHBondContact O-N 2.95Å; M468-C471 PolarHBondContact O-N 3.5Å; V469-C471 VanDerWaalsContact C-N 3.34Å; V469-C471 PolarHBondContact O-N 3.37Å; C471-R474 PolarHBondContact O-N 2.85Å; C471-L475 WeakPolarHBondContact O-CB 3.23Å; C471-L475 PolarHBondContact O-N 2.87Å |
| 472 | R | 90.4 | Very high | 82.9 | Confident | 181 Ų | 181 | 118 Ų | 118 | 68% | 0.683 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -58.6 | -48.2 | 174.4 | -73.9 | -80.7 | -179.2 | 170.4 | -0.6 | 111.4 | M468 V469 R474 L475 V476 | M468-R472 VanDerWaalsContact O-CG 3.3Å; M468-R472 WeakPolarHBondContact O-CG 3.41Å; M468-R472 PolarHBondContact O-N 3.42Å; V469-R472 PolarHBondContact O-N 3.23Å; R472-R474 PolarHBondContact O-N 3.06Å; R472-L475 PolarHBondContact O-N 3.09Å; R472-V476 WeakPolarHBondContact O-CG2 3.46Å; R472-V476 PolarHBondContact O-N 3.26Å |
| 473 | L | 85.4 | Confident | 80.7 | Confident | 107 Ų | 107 | 117.5 Ų | 117.5 | 56% | 0.56 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.7 | -37.7 | 178.3 | -69.8 | 172.6 | 0 | 0 | 0 | 112.7 | V469 K477 | V469-L473 HydrophobicContact CG1-CD1 3.9Å; V469-L473 HydrophobicContact CG1-CG 4.37Å; V469-L473 WeakPolarHBondContact O-CB 3.45Å; V469-L473 WeakPolarHBondContact O-CG 3.39Å; V469-L473 PolarHBondContact O-N 2.88Å; L473-K477 WeakPolarHBondContact O-CB 3.24Å; L473-K477 WeakPolarHBondContact O-CG 3.45Å; L473-K477 PolarHBondContact O-N 3.42Å |
| 474 | R | 81.8 | Confident | 78.7 | Confident | 183 Ų | 183 | 125.7 Ų | 125.7 | 69% | 0.691 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.6 | -40.3 | 173 | -75.6 | 176.9 | -177.5 | -150.7 | 1.7 | 111.8 | A470 C471 R472 K477 Q478 | A470-R474 WeakPolarHBondContact O-CB 3.35Å; A470-R474 VanDerWaalsContact O-CG 3.27Å; A470-R474 WeakPolarHBondContact O-CG 3.26Å; A470-R474 PolarHBondContact O-N 3.44Å; C471-R474 PolarHBondContact O-N 2.85Å; R472-R474 PolarHBondContact O-N 3.06Å; R474-K477 PolarHBondContact O-N 2.71Å; R474-Q478 WeakPolarHBondContact O-CB 3.38Å; R474-Q478 WeakPolarHBondContact O-CG 3.49Å; R474-Q478 PolarHBondContact O-N 3.18Å |
| 475 | L | 79.9 | Confident | 76.2 | Confident | 99 Ų | 99 | 126 Ų | 126 | 52% | 0.518 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66 | -42.3 | 176.4 | -160 | 78.4 | 0 | 0 | 0 | 111.6 | C471 R472 Q478 K479 | C471-L475 WeakPolarHBondContact O-CB 3.23Å; C471-L475 PolarHBondContact O-N 2.87Å; R472-L475 PolarHBondContact O-N 3.09Å; L475-Q478 PolarHBondContact O-N 3.48Å; L475-K479 WeakPolarHBondContact O-CG 3.4Å; L475-K479 PolarHBondContact O-N 2.98Å |
| 476 | V | 79.9 | Confident | 73.8 | Confident | 80 Ų | 80 | 128.4 Ų | 128.4 | 49% | 0.485 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -63.5 | -44.5 | 174.2 | 171.5 | 0 | 0 | 0 | 0 | 111 | R472 Q478 K479 L480 | R472-V476 WeakPolarHBondContact O-CG2 3.46Å; R472-V476 PolarHBondContact O-N 3.26Å; V476-Q478 VanDerWaalsContact C-N 3.32Å; V476-Q478 PolarHBondContact O-N 2.95Å; V476-K479 PolarHBondContact O-N 3.41Å; V476-K479 VanDerWaalsContact O-N 3.14Å; V476-L480 HydrophobicContact CG1-CD1 3.93Å; V476-L480 PolarHBondContact O-N 3.29Å |
| 477 | K | 73.6 | Confident | 71.3 | Confident | 147 Ų | 147 | 126.8 Ų | 126.8 | 64% | 0.639 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63 | -34 | 173.4 | -76.4 | -173.6 | 175.8 | -174 | 0 | 112.9 | L473 R474 K481 | L473-K477 WeakPolarHBondContact O-CB 3.24Å; L473-K477 WeakPolarHBondContact O-CG 3.45Å; L473-K477 PolarHBondContact O-N 3.42Å; R474-K477 PolarHBondContact O-N 2.71Å; K477-K481 WeakPolarHBondContact O-CB 3.47Å; K477-K481 WeakPolarHBondContact O-CG 3.47Å; K477-K481 PolarHBondContact O-N 3.42Å |
| 478 | Q | 72.7 | Confident | 69.1 | Low | 133 Ų | 133 | 127.5 Ų | 127.5 | 62% | 0.621 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.5 | -33.2 | 172.6 | -77.8 | -178.4 | -9.5 | 0 | 0 | 112.9 | R474 L475 V476 K482 | R474-Q478 WeakPolarHBondContact O-CB 3.38Å; R474-Q478 WeakPolarHBondContact O-CG 3.49Å; R474-Q478 PolarHBondContact O-N 3.18Å; L475-Q478 PolarHBondContact O-N 3.48Å; V476-Q478 VanDerWaalsContact C-N 3.32Å; V476-Q478 PolarHBondContact O-N 2.95Å; Q478-K482 PolarHBondContact O-N 3.43Å |
| 479 | K | 66.8 | Low | 67 | Low | 150 Ų | 150 | 129 Ų | 129 | 65% | 0.652 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.9 | -44.3 | 173.5 | -73.8 | -76.2 | -175.2 | 169.5 | 0 | 111.7 | L475 V476 K481 K482 A483 | L475-K479 WeakPolarHBondContact O-CG 3.4Å; L475-K479 PolarHBondContact O-N 2.98Å; V476-K479 PolarHBondContact O-N 3.41Å; V476-K479 VanDerWaalsContact O-N 3.14Å; K479-K481 VanDerWaalsContact C-N 3.27Å; K479-K481 PolarHBondContact O-N 3.32Å; K479-K482 CarbonylContact O-C 3.46Å; K479-K482 PolarHBondContact O-N 3.46Å; K479-A483 PolarHBondContact O-N 3.36Å |
| 480 | L | 61.4 | Low | 64.6 | Low | 122 Ų | 122 | 132.7 Ų | 132.7 | 64% | 0.639 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -60 | -33.8 | 172.8 | -76.7 | 162.9 | 0 | 0 | 0 | 112.7 | V476 K482 | V476-L480 HydrophobicContact CG1-CD1 3.93Å; V476-L480 PolarHBondContact O-N 3.29Å; L480-K482 VanDerWaalsContact C-N 3.26Å; L480-K482 PolarHBondContact O-N 3.43Å |
| 481 | K | 62.3 | Low | 62.4 | Low | 186 Ų | 186 | 134.4 Ų | 134.4 | 81% | 0.809 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -7.8 | 173 | -75.2 | -174.5 | 176.8 | -164.2 | 0 | 114.8 | K477 K479 | K477-K481 WeakPolarHBondContact O-CB 3.47Å; K477-K481 WeakPolarHBondContact O-CG 3.47Å; K477-K481 PolarHBondContact O-N 3.42Å; K479-K481 VanDerWaalsContact C-N 3.27Å; K479-K481 PolarHBondContact O-N 3.32Å |
| 482 | K | 56.7 | Low | 60.5 | Low | 190 Ų | 190 | 137.9 Ų | 137.9 | 83% | 0.826 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | -18 | 177.8 | -78 | -170.1 | 172.5 | -172.7 | 0 | 114.1 | Q478 K479 L480 | Q478-K482 PolarHBondContact O-N 3.43Å; K479-K482 CarbonylContact O-C 3.46Å; K479-K482 PolarHBondContact O-N 3.46Å; L480-K482 VanDerWaalsContact C-N 3.26Å; L480-K482 PolarHBondContact O-N 3.43Å |
| 483 | A | 47.6 | Very low | 58.4 | Low | 63 Ų | 63 | 136.5 Ų | 136.5 | 52% | 0.521 | 68% | 0.677 | S | S | . | * | trans | -85.8 | 111.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | K479 | K479-A483 PolarHBondContact O-N 3.36Š| ||
| 484 | R | 52.3 | Low | 56.6 | Low | 228 Ų | 228 | 138.5 Ų | 138.5 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | trans | -56.7 | 140.2 | 151.7 | -83.4 | -176.8 | 174.2 | 175.3 | -2.4 | 107 | I486 | R484-I486 PolarHBondContact O-N 3.32Š| ||
| 485 | P | 40.6 | Very low | 54.6 | Low | 119 Ų | 119 | 137.2 Ų | 137.2 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | trans | -62.3 | 113.5 | 166.9 | 27.3 | -31.5 | 0 | 0 | 0 | 107.3 | T487 | P485-T487 PolarHBondContact O-N 3.42Š| ||
| 486 | I | 44.3 | Very low | 52.7 | Low | 159 Ų | 159 | 139.6 Ų | 139.6 | 82% | 0.815 | 71% | 0.706 | S | S | * | * | trans | -77.8 | 100.5 | 166.6 | -54.8 | 174.6 | 0 | 0 | 0 | 104.5 | R484 | R484-I486 PolarHBondContact O-N 3.32Š| ||
| 487 | T | 42.4 | Very low | 50.7 | Low | 91 Ų | 91 | 139.6 Ų | 139.6 | 56% | 0.558 | 72% | 0.722 | S | S | * | * | trans | -62 | 133 | 167.6 | 39.9 | 0 | 0 | 0 | 0 | 108.2 | P485 E489 | P485-T487 PolarHBondContact O-N 3.42Å; T487-E489 PolarHBondContact O-N 3.43Å | ||
| 488 | S | 45.6 | Very low | 48.7 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -77.1 | 52.4 | -178.3 | -174.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 489 | E | 49.2 | Very low | 47.4 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | trans | -135.7 | 14.3 | -169.1 | -151.4 | -175.6 | 151.1 | 0 | 0 | 112.5 | T487 | T487-E489 PolarHBondContact O-N 3.43Š| ||
| 490 | E | 43.9 | Very low | 45.9 | Very low | 161 Ų | 161 | 149.4 Ų | 149.4 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -124.7 | 6.4 | -174.8 | -144.1 | 169.8 | -177 | 0 | 0 | 113.7 | ||
| 491 | S | 45.9 | Very low | 45.1 | Very low | 82 Ų | 82 | 150.8 Ų | 150.8 | 57% | 0.573 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -83.2 | -19.7 | 178.3 | 53.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 492 | D | 47.9 | Very low | 44.2 | Very low | 143 Ų | 143 | 148.9 Ų | 148.9 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | -97.6 | -0.3 | -165.8 | -74.6 | 26.5 | 0 | 0 | 0 | 113.6 | L494 | D492-L494 PolarHBondContact O-N 3.31Š| ||
| 493 | Y | 46.6 | Very low | 43.5 | Very low | 151 Ų | 151 | 146.6 Ų | 146.6 | 59% | 0.592 | 78% | 0.775 | S | S | * | * | trans | -84.1 | 50.8 | 174.4 | -60.7 | -72.5 | 0 | 0 | 0 | 112.6 | ||||
| 494 | L | 46.7 | Very low | 43.3 | Very low | 150 Ų | 150 | 151.5 Ų | 151.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -108.1 | 79.3 | 170.6 | -75.7 | 175 | 0 | 0 | 0 | 110.9 | D492 | D492-L494 PolarHBondContact O-N 3.31Š| ||
| 495 | I | 40.1 | Very low | 42.7 | Very low | 155 Ų | 155 | 146.8 Ų | 146.8 | 80% | 0.795 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -93.2 | 111.1 | 162.5 | -63.1 | 178 | 0 | 0 | 0 | 107.7 | ||
| 496 | N | 40 | Very low | 42.8 | Very low | 150 Ų | 150 | 148.6 Ų | 148.6 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 39.9 | 83.6 | 169.8 | -67.9 | -0.2 | 0 | 0 | 0 | 116.1 | M498 | N496-M498 PolarHBondContact O-N 2.9Š|
| 497 | G | 38.2 | Very low | 42.7 | Very low | 80 Ų | 80 | 147.9 Ų | 147.9 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -56.6 | 95.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 498 | M | 31.2 | Very low | 42.8 | Very low | 166 Ų | 166 | 152.2 Ų | 152.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -145.5 | 112.8 | 164.1 | -153.2 | 172.9 | 74.1 | 0 | 0 | 108.8 | N496 | N496-M498 PolarHBondContact O-N 2.9Š| ||
| 499 | Y | 45.9 | Very low | 42.5 | Very low | 231 Ų | 231 | 154.7 Ų | 154.7 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -72.4 | 132.8 | 178.2 | -78.8 | -94.9 | 0 | 0 | 0 | 111.2 | ||||
| 500 | L | 34.7 | Very low | 41.9 | Very low | 238 Ų | 238 | 155.2 Ų | 155.2 | 100% | 1.246 | 81% | 0.805 | S | S | * | * | trans | -140 | 0 | 153.1 | -86.1 | 174.5 | 0 | 0 | 0 | 108.9 |
Retrieved 500 of 500 residues in 765.6 ms
(Link to these results)