| 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 | 38.3 | Very low | 55 | Low | 229 Ų | 229 | 136.3 Ų | 136.3 | 100% | 1.128 | 84% | 0.843 | S | S | * | * | 0 | 61.1 | 0 | -66.5 | 158.6 | 164.6 | 0 | 0 | 106 | |||||
| 2 | S | 41.9 | Very low | 56.3 | Low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 83% | 0.83 | S | S | * | * | 72.6 | 120 | 64.6 | -48.4 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 3 | D | 57.7 | Low | 57.7 | Low | 158 Ų | 158 | 130.2 Ų | 130.2 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | cis | -133.9 | 153.4 | 27.5 | -70.4 | -62.6 | 0 | 0 | 0 | 115.9 | ||||
| 4 | Y | 47 | Very low | 58.7 | Low | 225 Ų | 225 | 129.5 Ų | 129.5 | 88% | 0.882 | 83% | 0.826 | S | S | * | * | trans | -107.2 | 134.5 | 165 | -111.3 | -101.2 | 0 | 0 | 0 | 107.5 | ||||
| 5 | S | 54.8 | Low | 59.5 | Low | 124 Ų | 124 | 128.7 Ų | 128.7 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -153.5 | 144 | 155 | -158.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 6 | T | 49.6 | Very low | 60 | Low | 129 Ų | 129 | 128.8 Ų | 128.8 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | -115.3 | 157.6 | -164.5 | 42.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 7 | G | 48 | Very low | 60 | Low | 84 Ų | 84 | 127.5 Ų | 127.5 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | trans | 123.3 | 133.8 | 147.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 8 | G | 58.1 | Low | 59.5 | Low | 72 Ų | 72 | 125.1 Ų | 125.1 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | trans | 121.7 | 106.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 9 | P | 68.5 | Low | 59.2 | Low | 125 Ų | 125 | 122.6 Ų | 122.6 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 156.7 | 162.1 | 33.2 | -33.5 | 0 | 0 | 0 | 111.7 | ||
| 10 | P | 70.2 | Confident | 58.8 | Low | 120 Ų | 120 | 120.9 Ų | 120.9 | 78% | 0.779 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 151.8 | -174.6 | 30.7 | -35.8 | 0 | 0 | 0 | 114 | ||
| 11 | P | 71.2 | Confident | 58.1 | Low | 131 Ų | 131 | 119.1 Ų | 119.1 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 152 | 180 | 33 | -35.6 | 0 | 0 | 0 | 113.6 | ||
| 12 | G | 70.5 | Confident | 58.6 | Low | 66 Ų | 66 | 112.3 Ų | 112.3 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 168.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 13 | P | 74.2 | Confident | 58.8 | Low | 127 Ų | 127 | 112.6 Ų | 112.6 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -77 | 154.2 | -175.5 | 31.3 | -35.8 | 0 | 0 | 0 | 114.1 | ||
| 14 | P | 72 | Confident | 58.3 | Low | 121 Ų | 121 | 110.4 Ų | 110.4 | 79% | 0.786 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 157.7 | -175.6 | 33.9 | -36.6 | 0 | 0 | 0 | 114.5 | ||
| 15 | P | 70.8 | Confident | 58.2 | Low | 117 Ų | 117 | 103.1 Ų | 103.1 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 157 | 176.6 | 33.6 | -35.9 | 0 | 0 | 0 | 113.5 | ||
| 16 | P | 67.3 | Low | 57.8 | Low | 130 Ų | 130 | 102.7 Ų | 102.7 | 84% | 0.844 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 144.2 | 177.9 | 30.9 | -34.8 | 0 | 0 | 0 | 112.9 | ||
| 17 | A | 59.7 | Low | 57.6 | Low | 108 Ų | 108 | 100.6 Ų | 100.6 | 89% | 0.893 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 130.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 18 | G | 51 | Low | 57.4 | Low | 83 Ų | 83 | 100.8 Ų | 100.8 | 86% | 0.856 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 136.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 19 | G | 53.5 | Low | 57.2 | Low | 79 Ų | 79 | 100.7 Ų | 100.7 | 81% | 0.814 | 84% | 0.836 | S | S | * | * | trans | -118.1 | 114 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 20 | G | 52.8 | Low | 57 | Low | 87 Ų | 87 | 100.6 Ų | 100.6 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | trans | -77.4 | 175.3 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 21 | G | 42.6 | Very low | 56.6 | Low | 84 Ų | 84 | 100.7 Ų | 100.7 | 87% | 0.866 | 84% | 0.836 | S | S | * | * | cis | 168.5 | 150.8 | 0.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 22 | G | 48.8 | Very low | 56.6 | Low | 87 Ų | 87 | 100.5 Ų | 100.5 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | trans | -173.5 | 120.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 23 | A | 45.8 | Very low | 56.1 | Low | 108 Ų | 108 | 100.4 Ų | 100.4 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | trans | -123.9 | 132.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 24 | A | 47.3 | Very low | 55.5 | Low | 112 Ų | 112 | 100.3 Ų | 100.3 | 93% | 0.926 | 83% | 0.833 | S | S | * | * | trans | 174.2 | 145 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 25 | G | 45.3 | Very low | 55.3 | Low | 72 Ų | 72 | 100.9 Ų | 100.9 | 74% | 0.742 | 84% | 0.837 | S | S | * | * | cis | 166.9 | 119.6 | -7.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 26 | A | 46.2 | Very low | 54.1 | Low | 114 Ų | 114 | 99 Ų | 99 | 94% | 0.942 | 84% | 0.839 | S | S | * | * | trans | 61.7 | 141 | 162.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 27 | G | 45.7 | Very low | 53.2 | Low | 86 Ų | 86 | 98.2 Ų | 98.2 | 89% | 0.887 | 84% | 0.844 | S | S | * | * | trans | 94.6 | 127.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 28 | G | 44 | Very low | 52.5 | Low | 87 Ų | 87 | 96.4 Ų | 96.4 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | cis | 137.7 | 85.9 | 3.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 29 | G | 53.7 | Low | 52.3 | Low | 70 Ų | 70 | 99.9 Ų | 99.9 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | trans | 175.5 | 130.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 30 | P | 63.7 | Low | 52.1 | Low | 124 Ų | 124 | 107.5 Ų | 107.5 | 81% | 0.805 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 161.8 | 178.1 | 32.9 | -34.9 | 0 | 0 | 0 | 112.6 | ||
| 31 | P | 63.2 | Low | 51.7 | Low | 121 Ų | 121 | 107.3 Ų | 107.3 | 79% | 0.786 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 149.8 | -174.1 | 30.7 | -36.2 | 0 | 0 | 0 | 113.4 | ||
| 32 | P | 71.1 | Confident | 51.7 | Low | 128 Ų | 128 | 107.2 Ų | 107.2 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 133.4 | 171.2 | 30.4 | -33.3 | 0 | 0 | 0 | 111.4 | ||
| 33 | G | 58.9 | Low | 51.4 | Low | 63 Ų | 63 | 107.3 Ų | 107.3 | 65% | 0.649 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 171.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 34 | P | 62.6 | Low | 51.4 | Low | 125 Ų | 125 | 105.7 Ų | 105.7 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 148.4 | -178.4 | 31.3 | -35.3 | 0 | 0 | 0 | 112.5 | G36 | P34-G36 PolarHBondContact O-N 2.92Š|
| 35 | P | 67.6 | Low | 51.6 | Low | 134 Ų | 134 | 107.2 Ų | 107.2 | 87% | 0.87 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -73 | 117.9 | 176.1 | 28.8 | -33 | 0 | 0 | 0 | 111.6 | ||
| 36 | G | 45.2 | Very low | 51.4 | Low | 76 Ų | 76 | 106.4 Ų | 106.4 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 172.8 | 172 | 0 | 0 | 0 | 0 | 0 | 113.8 | P34 | P34-G36 PolarHBondContact O-N 2.92Š|
| 37 | A | 47.6 | Very low | 51.1 | Low | 115 Ų | 115 | 103.7 Ų | 103.7 | 95% | 0.95 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 159.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 38 | G | 46.3 | Very low | 50.9 | Low | 69 Ų | 69 | 101.4 Ų | 101.4 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -174.1 | 99.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 39 | D | 46.8 | Very low | 51 | Low | 156 Ų | 156 | 100.2 Ų | 100.2 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | 84.4 | 145.7 | 83.6 | -168.9 | -103.9 | 0 | 0 | 0 | 113.6 | |||||
| 40 | R | 48.4 | Very low | 50.8 | Low | 240 Ų | 240 | 103.7 Ų | 103.7 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | 92.3 | 120.7 | -161.4 | -59.6 | 173.3 | 179.7 | -166.6 | -0.1 | 113.9 | ||||
| 41 | G | 43.8 | Very low | 49.7 | Very low | 82 Ų | 82 | 101.8 Ų | 101.8 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | cis | 130.4 | 118.1 | -6.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 42 | G | 43.5 | Very low | 48.4 | Very low | 82 Ų | 82 | 100 Ų | 100 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | 117.7 | 107.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 43 | G | 42.8 | Very low | 46.9 | Very low | 90 Ų | 90 | 98.1 Ų | 98.1 | 93% | 0.928 | 79% | 0.79 | S | S | * | * | trans | 78.7 | 148.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 44 | G | 46 | Very low | 45.9 | Very low | 74 Ų | 74 | 98.7 Ų | 98.7 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | cis | 161.9 | 148.2 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 45 | P | 50.3 | Low | 45.1 | Very low | 143 Ų | 143 | 97.6 Ų | 97.6 | 93% | 0.929 | 80% | 0.797 | S | S | * | * | trans | -122.9 | 174.5 | -148.7 | 41.4 | -29.1 | 0 | 0 | 0 | 118.5 | ||||
| 46 | G | 41.9 | Very low | 44 | Very low | 56 Ų | 56 | 96.9 Ų | 96.9 | 58% | 0.577 | 80% | 0.795 | S | S | * | * | trans | 139.5 | 161.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 47 | G | 40.6 | Very low | 43.8 | Very low | 56 Ų | 56 | 97.4 Ų | 97.4 | 58% | 0.577 | 80% | 0.801 | S | S | * | * | cis | 164.8 | 136.3 | -11.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N550 | G47-N550 CarbonylContact C-O 3.17Å; G47-N550 VanDerWaalsContact CA-O 3.26Å; G47-N550 WeakPolarHBondContact CA-O 3.43Å | ||
| 48 | G | 41.3 | Very low | 43.4 | Very low | 38 Ų | 38 | 95.4 Ų | 95.4 | 39% | 0.392 | 79% | 0.792 | S | S | . | * | trans | 76.5 | 157.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | G549 N550 T551 | G48-G549 CarbonylContact O-C 3.23Å; G48-G549 VanDerWaalsContact O-O 3.07Å; G48-N550 PolarHBondContact N-O 3.05Å; G48-N550 PolarHBondContact O-N 2.82Å; G48-T551 VanDerWaalsContact CA-OG1 3.31Å; G48-T551 WeakPolarHBondContact CA-OG1 3.29Å | ||
| 49 | G | 45.9 | Very low | 43.6 | Very low | 63 Ų | 63 | 98.2 Ų | 98.2 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | cis | -179.5 | 164.9 | -9.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T551 | G49-T551 PolarHBondContact N-OG1 2.95Š| ||
| 50 | P | 49.4 | Very low | 43.4 | Very low | 143 Ų | 143 | 96.9 Ų | 96.9 | 93% | 0.929 | 80% | 0.8 | S | S | * | * | trans | -111.4 | 168.1 | -162.5 | 40.8 | -35.4 | 0 | 0 | 0 | 118 | ||||
| 51 | G | 40.2 | Very low | 43 | Very low | 84 Ų | 84 | 94.2 Ų | 94.2 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | 143.2 | 155 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 52 | G | 36.6 | Very low | 43.1 | Very low | 82 Ų | 82 | 95.1 Ų | 95.1 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | cis | 161.9 | 129.8 | -6.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 53 | G | 38.2 | Very low | 43.3 | Very low | 90 Ų | 90 | 96.9 Ų | 96.9 | 93% | 0.928 | 79% | 0.786 | S | S | * | * | trans | 86.4 | 151.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 54 | G | 38.5 | Very low | 42.9 | Very low | 74 Ų | 74 | 96.5 Ų | 96.5 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | cis | 172.4 | 169.3 | -6.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 55 | A | 46 | Very low | 42.4 | Very low | 103 Ų | 103 | 97.2 Ų | 97.2 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | 69.2 | 146.5 | 170 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 56 | S | 45.8 | Very low | 41.4 | Very low | 118 Ų | 118 | 94.5 Ų | 94.5 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | cis | -172.5 | 149 | -11.2 | 47.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 57 | G | 40.3 | Very low | 41 | Very low | 87 Ų | 87 | 95.2 Ų | 95.2 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | 86.9 | 145 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 58 | G | 39.2 | Very low | 40.8 | Very low | 74 Ų | 74 | 99.1 Ų | 99.1 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | cis | -173.7 | 168.4 | 0.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 59 | P | 50.3 | Low | 40.4 | Very low | 127 Ų | 127 | 99.8 Ų | 99.8 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -121.6 | 160.1 | -138.6 | 40.2 | -31.6 | 0 | 0 | 0 | 117.9 | ||||
| 60 | S | 43 | Very low | 40.5 | Very low | 129 Ų | 129 | 104.6 Ų | 104.6 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -155.6 | 140 | 149.2 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 61 | Q | 39.2 | Very low | 40.6 | Very low | 184 Ų | 184 | 108.8 Ų | 108.8 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -146.9 | -174.9 | -176.3 | -130.2 | -167 | 28.9 | 0 | 0 | 106.9 | ||||
| 62 | P | 46.9 | Very low | 41.1 | Very low | 100 Ų | 100 | 113.2 Ų | 113.2 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | cis | -132.2 | -142.4 | -21.6 | 43.1 | -23.8 | 0 | 0 | 0 | 109.1 | ||||
| 63 | P | 47.2 | Very low | 41.9 | Very low | 120 Ų | 120 | 115.2 Ų | 115.2 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | cis | -129.2 | 163.6 | -28.4 | 34.7 | -17.6 | 0 | 0 | 0 | 115.6 | ||||
| 64 | G | 33.8 | Very low | 42.8 | Very low | 81 Ų | 81 | 114.3 Ų | 114.3 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | 102.4 | 145.6 | 134.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 65 | G | 35.4 | Very low | 43.9 | Very low | 89 Ų | 89 | 117.7 Ų | 117.7 | 92% | 0.918 | 79% | 0.787 | S | S | * | * | trans | 107 | 103.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 66 | G | 30 | Very low | 44.9 | Very low | 86 Ų | 86 | 115.1 Ų | 115.1 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | trans | -109.5 | 170.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 67 | G | 33.1 | Very low | 46 | Very low | 72 Ų | 72 | 113 Ų | 113 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | trans | 139.8 | 144.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 68 | P | 37.1 | Very low | 47.2 | Very low | 138 Ų | 138 | 111.4 Ų | 111.4 | 90% | 0.896 | 72% | 0.723 | S | S | * | * | trans | -91 | 113.9 | -169.2 | 33.7 | -33.4 | 0 | 0 | 0 | 113.9 | ||||
| 69 | G | 33.3 | Very low | 48.9 | Very low | 51 Ų | 51 | 110.6 Ų | 110.6 | 53% | 0.526 | 70% | 0.703 | S | S | . | * | trans | -103.7 | -28.3 | -173 | 0 | 0 | 0 | 0 | 0 | 118.6 | R71 | G69-R71 PolarHBondContact O-N 3.49Š| ||
| 70 | I | 47.1 | Very low | 50.1 | Low | 164 Ų | 164 | 110.7 Ų | 110.7 | 84% | 0.841 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -5.2 | -152.5 | -56.2 | 174.2 | 0 | 0 | 0 | 115.7 | ||
| 71 | R | 51.5 | Low | 51.4 | Low | 232 Ų | 232 | 111.9 Ų | 111.9 | 88% | 0.875 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -9.1 | -172.7 | -80.2 | -171.7 | -82.5 | 177.6 | -6.2 | 116.8 | G69 | G69-R71 PolarHBondContact O-N 3.49Š|
| 72 | K | 50.1 | Low | 52.7 | Low | 176 Ų | 176 | 106 Ų | 106 | 77% | 0.765 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -92.7 | -38.6 | -172.7 | -109.6 | 170.5 | 177.5 | 175.4 | 0 | 114.7 | F75 A76 | K72-F75 PolarHBondContact O-N 2.72Å; K72-A76 PolarHBondContact O-N 2.58Å |
| 73 | D | 55.1 | Low | 53.8 | Low | 125 Ų | 125 | 110.3 Ų | 110.3 | 67% | 0.668 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.2 | -35.9 | -174 | -49.2 | -54.9 | 0 | 0 | 0 | 112.5 | F75 A76 D77 | D73-F75 PolarHBondContact O-N 3.2Å; D73-A76 PolarHBondContact O-N 3.23Å; D73-D77 PolarHBondContact O-N 2.79Å; D73-D77 VanDerWaalsContact O-N 3.13Å |
| 74 | A | 56.4 | Low | 55.1 | Low | 71 Ų | 71 | 111.6 Ų | 111.6 | 59% | 0.587 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -62.9 | -27.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A78 | A74-A78 WeakPolarHBondContact O-CB 3.47Å; A74-A78 PolarHBondContact O-N 2.77Å |
| 75 | F | 61.4 | Low | 56.4 | Low | 145 Ų | 145 | 112.7 Ų | 112.7 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.9 | -37.4 | 175.6 | -172.5 | -100.1 | 0 | 0 | 0 | 111.7 | K72 D73 A78 V79 | K72-F75 PolarHBondContact O-N 2.72Å; D73-F75 PolarHBondContact O-N 3.2Å; F75-A78 PolarHBondContact O-N 2.75Å; F75-V79 HydrophobicContact CD1-CG2 4.11Å; F75-V79 HydrophobicContact CE1-CG2 3.77Å; F75-V79 HydrophobicContact CE2-CG2 4.37Å; F75-V79 HydrophobicContact CZ-CG2 3.91Å; F75-V79 WeakPolarHBondContact O-CB 3.33Å; F75-V79 VanDerWaalsContact O-CG2 3.31Å; F75-V79 WeakPolarHBondContact O-CG2 3.1Å; F75-V79 PolarHBondContact O-N 3.07Å |
| 76 | A | 67.4 | Low | 57.5 | Low | 48 Ų | 48 | 111.5 Ų | 111.5 | 40% | 0.397 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.1 | -47.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K72 D73 A78 V79 Q80 | K72-A76 PolarHBondContact O-N 2.58Å; D73-A76 PolarHBondContact O-N 3.23Å; A76-A78 PolarHBondContact O-N 3.49Å; A76-V79 PolarHBondContact O-N 3.04Å; A76-Q80 PolarHBondContact O-N 3.04Å |
| 77 | D | 68.3 | Low | 58.8 | Low | 74 Ų | 74 | 111.3 Ų | 111.3 | 40% | 0.396 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.9 | -39.2 | 178.6 | -166.3 | 68.9 | 0 | 0 | 0 | 112 | D73 Q80 R81 | D73-D77 PolarHBondContact O-N 2.79Å; D73-D77 VanDerWaalsContact O-N 3.13Å; D77-Q80 PolarHBondContact O-N 2.87Å; D77-R81 WeakPolarHBondContact O-CG 2.95Å; D77-R81 PolarHBondContact O-N 3.4Å; D77-R81 IonicContact OD2-CZ 2.68Å; D77-R81 IonicContact OD2-NE 3.66Å; D77-R81 PolarHBondContact OD2-NE 2.95Å; D77-R81 IonicContact OD2-NH2 3.59Å; D77-R81 PolarHBondContact OD2-NH2 2.78Å |
| 78 | A | 64.6 | Low | 60 | Low | 54 Ų | 54 | 116.9 Ų | 116.9 | 45% | 0.446 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.1 | -42.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A74 F75 A76 R81 A82 | A74-A78 WeakPolarHBondContact O-CB 3.47Å; A74-A78 PolarHBondContact O-N 2.77Å; F75-A78 PolarHBondContact O-N 2.75Å; A76-A78 PolarHBondContact O-N 3.49Å; A78-R81 PolarHBondContact O-N 3.3Å; A78-A82 WeakPolarHBondContact O-CB 3.23Å; A78-A82 PolarHBondContact O-N 3.21Å |
| 79 | V | 75 | Confident | 60.9 | Low | 56 Ų | 56 | 116.8 Ų | 116.8 | 34% | 0.339 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69.4 | -35.7 | 177.4 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | F75 A76 A82 R83 | F75-V79 HydrophobicContact CD1-CG2 4.11Å; F75-V79 HydrophobicContact CE1-CG2 3.77Å; F75-V79 HydrophobicContact CE2-CG2 4.37Å; F75-V79 HydrophobicContact CZ-CG2 3.91Å; F75-V79 WeakPolarHBondContact O-CB 3.33Å; F75-V79 VanDerWaalsContact O-CG2 3.31Å; F75-V79 WeakPolarHBondContact O-CG2 3.1Å; F75-V79 PolarHBondContact O-N 3.07Å; A76-V79 PolarHBondContact O-N 3.04Å; V79-A82 PolarHBondContact O-N 2.84Å; V79-R83 WeakPolarHBondContact O-CG 3.29Å; V79-R83 PolarHBondContact O-N 2.94Å |
| 80 | Q | 76 | Confident | 61.4 | Low | 129 Ų | 129 | 118.1 Ų | 118.1 | 60% | 0.603 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.3 | -41.6 | 174.3 | -77.4 | 177.9 | -69.9 | 0 | 0 | 112.3 | A76 D77 R83 Q84 | A76-Q80 PolarHBondContact O-N 3.04Å; D77-Q80 PolarHBondContact O-N 2.87Å; Q80-R83 PolarHBondContact O-N 2.88Å; Q80-Q84 PolarHBondContact O-N 3.43Å |
| 81 | R | 70.4 | Confident | 60.8 | Low | 155 Ų | 155 | 113.3 Ų | 113.3 | 59% | 0.585 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64 | -42.9 | 172.4 | -68.5 | -175.4 | -151.7 | -151.9 | 4.5 | 112.2 | D77 A78 R83 Q84 I85 | D77-R81 WeakPolarHBondContact O-CG 2.95Å; D77-R81 PolarHBondContact O-N 3.4Å; D77-R81 IonicContact OD2-CZ 2.68Å; D77-R81 IonicContact OD2-NE 3.66Å; D77-R81 PolarHBondContact OD2-NE 2.95Å; D77-R81 IonicContact OD2-NH2 3.59Å; D77-R81 PolarHBondContact OD2-NH2 2.78Å; A78-R81 PolarHBondContact O-N 3.3Å; R81-R83 VanDerWaalsContact C-N 3.32Å; R81-R83 PolarHBondContact O-N 3.03Å; R81-Q84 PolarHBondContact O-N 3Å; R81-I85 WeakPolarHBondContact O-CG1 3.25Å; R81-I85 PolarHBondContact O-N 2.76Å |
| 82 | A | 67.4 | Low | 60.2 | Low | 59 Ų | 59 | 110 Ų | 110 | 49% | 0.488 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -59.7 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A78 V79 I85 A86 | A78-A82 WeakPolarHBondContact O-CB 3.23Å; A78-A82 PolarHBondContact O-N 3.21Å; V79-A82 PolarHBondContact O-N 2.84Å; A82-I85 PolarHBondContact O-N 2.84Å; A82-A86 WeakPolarHBondContact O-CB 3.47Å; A82-A86 PolarHBondContact O-N 2.89Å |
| 83 | R | 69.8 | Low | 59.5 | Low | 191 Ų | 191 | 106.5 Ų | 106.5 | 72% | 0.721 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.7 | -39.8 | 173.5 | -77.1 | -175.2 | 174 | -161.6 | -1.6 | 113.1 | V79 Q80 R81 A87 | V79-R83 WeakPolarHBondContact O-CG 3.29Å; V79-R83 PolarHBondContact O-N 2.94Å; Q80-R83 PolarHBondContact O-N 2.88Å; R81-R83 VanDerWaalsContact C-N 3.32Å; R81-R83 PolarHBondContact O-N 3.03Å; R83-A87 VanDerWaalsContact O-CB 3.28Å; R83-A87 WeakPolarHBondContact O-CB 3.35Å; R83-A87 PolarHBondContact O-N 2.98Å |
| 84 | Q | 74.8 | Confident | 58.4 | Low | 147 Ų | 147 | 105.1 Ų | 105.1 | 69% | 0.687 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.7 | -37.7 | 175 | -85.3 | -174.2 | -8.9 | 0 | 0 | 112.8 | Q80 R81 K88 | Q80-Q84 PolarHBondContact O-N 3.43Å; R81-Q84 PolarHBondContact O-N 3Å; Q84-K88 WeakPolarHBondContact O-CB 3.5Å; Q84-K88 PolarHBondContact O-N 3.3Å |
| 85 | I | 60.2 | Low | 57.5 | Low | 104 Ų | 104 | 108.1 Ų | 108.1 | 53% | 0.533 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.6 | -43.6 | 177.7 | -66.2 | 164.9 | 0 | 0 | 0 | 110.4 | R81 A82 A87 K88 I89 | R81-I85 WeakPolarHBondContact O-CG1 3.25Å; R81-I85 PolarHBondContact O-N 2.76Å; A82-I85 PolarHBondContact O-N 2.84Å; I85-A87 VanDerWaalsContact C-N 3.34Å; I85-A87 PolarHBondContact O-N 3.4Å; I85-K88 PolarHBondContact O-N 3.21Å; I85-K88 VanDerWaalsContact O-N 3.08Å; I85-I89 HydrophobicContact CG2-CD1 3.74Å; I85-I89 WeakPolarHBondContact O-CG1 3.36Å; I85-I89 PolarHBondContact O-N 3.05Å |
| 86 | A | 58.1 | Low | 56.4 | Low | 64 Ų | 64 | 106.7 Ų | 106.7 | 53% | 0.529 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -60.1 | -42.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A82 K88 I89 G90 | A82-A86 WeakPolarHBondContact O-CB 3.47Å; A82-A86 PolarHBondContact O-N 2.89Å; A86-K88 PolarHBondContact O-N 2.92Å; A86-I89 PolarHBondContact O-N 2.89Å; A86-G90 PolarHBondContact O-N 2.91Å; A86-G90 VanDerWaalsContact O-N 3.13Å |
| 87 | A | 58.7 | Low | 55.1 | Low | 82 Ų | 82 | 110.7 Ų | 110.7 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.1 | -16.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R83 I85 | R83-A87 VanDerWaalsContact O-CB 3.28Å; R83-A87 WeakPolarHBondContact O-CB 3.35Å; R83-A87 PolarHBondContact O-N 2.98Å; I85-A87 VanDerWaalsContact C-N 3.34Å; I85-A87 PolarHBondContact O-N 3.4Å |
| 88 | K | 57.5 | Low | 53.6 | Low | 189 Ų | 189 | 113.4 Ų | 113.4 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -97.7 | -11 | 178.9 | -122.8 | 178 | 179.6 | -177.7 | 0 | 114.6 | Q84 I85 A86 | Q84-K88 WeakPolarHBondContact O-CB 3.5Å; Q84-K88 PolarHBondContact O-N 3.3Å; I85-K88 PolarHBondContact O-N 3.21Å; I85-K88 VanDerWaalsContact O-N 3.08Å; A86-K88 PolarHBondContact O-N 2.92Å |
| 89 | I | 56.3 | Low | 52.1 | Low | 137 Ų | 137 | 117.2 Ų | 117.2 | 70% | 0.703 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -111.7 | -28.4 | -177.3 | -63.2 | 172.7 | 0 | 0 | 0 | 111.2 | I85 A86 G91 | I85-I89 HydrophobicContact CG2-CD1 3.74Å; I85-I89 WeakPolarHBondContact O-CG1 3.36Å; I85-I89 PolarHBondContact O-N 3.05Å; A86-I89 PolarHBondContact O-N 2.89Å; I89-G91 VanDerWaalsContact C-N 3.29Å; I89-G91 PolarHBondContact O-N 3.2Å |
| 90 | G | 42.9 | Very low | 50.3 | Low | 78 Ų | 78 | 121.9 Ų | 121.9 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -84.4 | 27.1 | -179 | 0 | 0 | 0 | 0 | 0 | 116.1 | A86 | A86-G90 PolarHBondContact O-N 2.91Å; A86-G90 VanDerWaalsContact O-N 3.13Å |
| 91 | G | 35.1 | Very low | 48.7 | Very low | 63 Ų | 63 | 121.3 Ų | 121.3 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | trans | -145.7 | 42.3 | -162 | 0 | 0 | 0 | 0 | 0 | 116.8 | I89 | I89-G91 VanDerWaalsContact C-N 3.29Å; I89-G91 PolarHBondContact O-N 3.2Å | ||
| 92 | D | 37.8 | Very low | 47.3 | Very low | 163 Ų | 163 | 119.6 Ų | 119.6 | 87% | 0.872 | 72% | 0.723 | S | S | * | * | trans | -151.4 | 69.2 | 170.7 | -142.3 | -29.7 | 0 | 0 | 0 | 112.9 | ||||
| 93 | A | 35.3 | Very low | 45.8 | Very low | 103 Ų | 103 | 123.1 Ų | 123.1 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -161.2 | 34.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 94 | A | 31.9 | Very low | 44.3 | Very low | 95 Ų | 95 | 124 Ų | 124 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | -161.4 | 107.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 95 | T | 37.9 | Very low | 42.4 | Very low | 134 Ų | 134 | 120.1 Ų | 120.1 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | -159.8 | 135 | 159.9 | -10.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 96 | T | 38 | Very low | 41.4 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | cis | -159.2 | 166 | 27.4 | -46.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 97 | V | 41.6 | Very low | 40.4 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | 69.9 | 100.4 | 159 | -83.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 98 | N | 35.5 | Very low | 39.4 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | 97.2 | 108 | 106.5 | -161.5 | 53.5 | 0 | 0 | 0 | 121.8 | |||||
| 99 | N | 34.8 | Very low | 38.5 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | 34.2 | 144.1 | 136.6 | -58.7 | -34.4 | 0 | 0 | 0 | 121 | ||||
| 100 | N | 36.4 | Very low | 37.4 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | cis | -161.2 | 157 | 19.1 | -148.8 | 10.3 | 0 | 0 | 0 | 111.9 | ||||
| 101 | T | 41.8 | Very low | 36.9 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | trans | -98.2 | 168.9 | 171.6 | -20.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 102 | P | 42.1 | Very low | 36.9 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | -140.1 | 142.1 | 78.8 | 33.1 | -14.1 | 0 | 0 | 0 | 113.9 | |||||
| 103 | D | 35.3 | Very low | 37.4 | Very low | 133 Ų | 133 | 136 Ų | 136 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | 58.3 | 113.7 | 81.5 | -159.7 | 72.9 | 0 | 0 | 0 | 116.7 | |||||
| 104 | F | 38.4 | Very low | 37.6 | Very low | 209 Ų | 209 | 138.4 Ų | 138.4 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | trans | -169.4 | 130.7 | 145.2 | -101 | -69.7 | 0 | 0 | 0 | 107.8 | ||||
| 105 | G | 35.6 | Very low | 37.9 | Very low | 65 Ų | 65 | 141.1 Ų | 141.1 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | trans | -137.2 | 174.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 106 | F | 37.7 | Very low | 37.9 | Very low | 218 Ų | 218 | 137.5 Ų | 137.5 | 96% | 0.956 | 76% | 0.759 | S | S | * | * | trans | -158.2 | 152.1 | 156.4 | -141.8 | -101.5 | 0 | 0 | 0 | 112.9 | ||||
| 107 | G | 37.6 | Very low | 38 | Very low | 69 Ų | 69 | 140 Ų | 140 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -85.6 | 167.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 108 | G | 36.9 | Very low | 38.2 | Very low | 76 Ų | 76 | 141.8 Ų | 141.8 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | trans | -112.6 | -176.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 109 | Q | 39.3 | Very low | 39.1 | Very low | 209 Ų | 209 | 139.9 Ų | 139.9 | 98% | 0.977 | 76% | 0.762 | S | S | * | * | trans | -157.4 | 154.9 | 171.2 | -113.7 | 164.9 | -14.5 | 0 | 0 | 114.8 | ||||
| 110 | K | 33.6 | Very low | 39.3 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | -56.8 | 143.3 | -170 | -83.7 | 168.7 | 160.3 | 170.7 | 0 | 120.6 | ||||
| 111 | R | 33.1 | Very low | 39.6 | Very low | 193 Ų | 193 | 137.7 Ų | 137.7 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | 81.9 | 145.7 | 125.7 | -80.6 | -168.8 | -60.9 | -165.7 | 4.2 | 124 | |||||
| 112 | Q | 33.3 | Very low | 39.8 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | 75 | 145.9 | 160.1 | -70.3 | 170.4 | 120.4 | 0 | 0 | 115.5 | ||||
| 113 | L | 48.6 | Very low | 39.6 | Very low | 117 Ų | 117 | 144 Ų | 144 | 61% | 0.613 | 76% | 0.764 | S | S | * | * | cis | -153.9 | 168.9 | 5.2 | -155 | 71.3 | 0 | 0 | 0 | 110 | ||||
| 114 | E | 39 | Very low | 40 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | 15.2 | 150.4 | 147.4 | -73.2 | 148.9 | 46.5 | 0 | 0 | 121.1 | ||||
| 115 | D | 38.5 | Very low | 40 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | cis | -164.3 | 179.7 | 8 | -142 | -60.8 | 0 | 0 | 0 | 110.2 | ||||
| 116 | G | 39.2 | Very low | 40.4 | Very low | 58 Ų | 58 | 140.8 Ų | 140.8 | 60% | 0.598 | 76% | 0.761 | S | S | * | * | trans | 101.3 | 84 | 144.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 117 | D | 39.8 | Very low | 40.6 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | trans | 65 | 158.2 | 131 | -111.2 | -82 | 0 | 0 | 0 | 126.2 | ||||
| 118 | Q | 44.6 | Very low | 40.8 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -103.3 | -168.1 | -169.1 | -104.2 | -172.1 | 9.5 | 0 | 0 | 112.1 | ||||
| 119 | P | 54.8 | Low | 41 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 59% | 0.591 | 75% | 0.752 | S | S | * | * | cis | -132.7 | -166.2 | -45.5 | 37.8 | -20.1 | 0 | 0 | 0 | 112.7 | ||||
| 120 | D | 39.8 | Very low | 41.4 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | trans | 57.7 | 115.4 | 152.1 | -77.8 | -63.1 | 0 | 0 | 0 | 122 | ||||
| 121 | S | 42.9 | Very low | 41.9 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | 162.9 | 129.8 | 111.2 | -79.7 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 122 | K | 45.1 | Very low | 42.2 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | 51.1 | 119.9 | 135.1 | -65.4 | 170.7 | 179.3 | 161.2 | 0 | 122.2 | ||||
| 123 | K | 39.1 | Very low | 42.9 | Very low | 183 Ų | 183 | 129.2 Ų | 129.2 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | 82.4 | 152.4 | 124.3 | -86.2 | 178.2 | 169.1 | -79.4 | 0 | 121.5 | |||||
| 124 | L | 43.1 | Very low | 42.7 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | 70.1 | 116.1 | 172.1 | -85.3 | 64.4 | 0 | 0 | 0 | 114 | ||||
| 125 | A | 38.4 | Very low | 42.7 | Very low | 85 Ų | 85 | 134 Ų | 134 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | 64.6 | 136.5 | 57.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 126 | S | 43 | Very low | 42.9 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | cis | 170.3 | 117.2 | -4.5 | 44.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 127 | Q | 42.5 | Very low | 43.1 | Very low | 199 Ų | 199 | 132.2 Ų | 132.2 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | trans | -172.4 | 143.1 | 168.5 | -151.1 | 167.8 | 3.9 | 0 | 0 | 107.3 | ||||
| 128 | G | 41.3 | Very low | 43.2 | Very low | 52 Ų | 52 | 132 Ų | 132 | 54% | 0.536 | 76% | 0.763 | S | S | . | * | cis | 178.6 | 151.4 | -10.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 129 | D | 42.5 | Very low | 43.4 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | 60.9 | 143.4 | 131.9 | -61.5 | -65.2 | 0 | 0 | 0 | 120.9 | ||||
| 130 | S | 46.2 | Very low | 43.3 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | cis | -167.7 | -172.5 | 3.5 | -122.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 131 | I | 45.1 | Very low | 43.7 | Very low | 172 Ų | 172 | 131 Ų | 131 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | trans | 87.3 | 116.1 | 174.4 | -51 | 162.2 | 0 | 0 | 0 | 114.8 | ||||
| 132 | G | 40.2 | Very low | 43.7 | Very low | 66 Ų | 66 | 131.5 Ų | 131.5 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | cis | 126.2 | 85.1 | -11.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 133 | S | 46.7 | Very low | 44.1 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -169 | 130.2 | 154 | -87.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 134 | Q | 44 | Very low | 45.3 | Very low | 194 Ų | 194 | 130.7 Ų | 130.7 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | trans | 62.8 | 91.3 | 162 | -57.8 | -172.6 | 7.6 | 0 | 0 | 118.5 | ||||
| 135 | L | 39.7 | Very low | 46.8 | Very low | 177 Ų | 177 | 127.6 Ų | 127.6 | 93% | 0.927 | 76% | 0.756 | S | S | * | * | trans | -113.3 | 128 | 165.8 | -76.3 | 166.8 | 0 | 0 | 0 | 110.6 | ||||
| 136 | G | 42.7 | Very low | 49.1 | Very low | 56 Ų | 56 | 128 Ų | 128 | 58% | 0.577 | 74% | 0.744 | S | S | * | * | trans | -97.9 | 144.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | I138 | G136-I138 PolarHBondContact O-N 2.79Š| ||
| 137 | P | 43.2 | Very low | 51.3 | Low | 117 Ų | 117 | 126.9 Ų | 126.9 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | trans | -74.3 | 97.1 | -177.8 | 30.1 | -33.4 | 0 | 0 | 0 | 110.3 | H139 | P137-H139 PolarHBondContact O-CD2 2.65Å; P137-H139 PolarHBondContact O-N 3.45Å | ||
| 138 | I | 43.3 | Very low | 53.6 | Low | 165 Ų | 165 | 119.8 Ų | 119.8 | 85% | 0.846 | 70% | 0.699 | S | S | * | * | trans | -73.9 | 106.1 | 161.9 | -62.1 | -179.5 | 0 | 0 | 0 | 106.6 | G136 | G136-I138 PolarHBondContact O-N 2.79Š| ||
| 139 | H | 47.3 | Very low | 55.9 | Low | 157 Ų | 157 | 123.3 Ų | 123.3 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 127.3 | 176.3 | -69.6 | -131 | 0 | 0 | 0 | 109.2 | P137 | P137-H139 PolarHBondContact O-CD2 2.65Å; P137-H139 PolarHBondContact O-N 3.45Å |
| 140 | P | 53.2 | Low | 58.2 | Low | 117 Ų | 117 | 118.4 Ų | 118.4 | 76% | 0.76 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 131.8 | 159.8 | 27.8 | -31.4 | 0 | 0 | 0 | 107.1 | ||
| 141 | P | 47.9 | Very low | 60.2 | Low | 106 Ų | 106 | 121 Ų | 121 | 69% | 0.688 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 146.6 | 174.7 | 25.8 | -33.7 | 0 | 0 | 0 | 108.8 | R143 | P141-R143 PolarHBondContact O-N 2.99Š|
| 142 | P | 43.6 | Very low | 62.3 | Low | 111 Ų | 111 | 112.9 Ų | 112.9 | 72% | 0.721 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 121.3 | 177.8 | 25 | -33.4 | 0 | 0 | 0 | 107.7 | T144 | P142-T144 PolarHBondContact O-N 2.85Š|
| 143 | R | 53.6 | Low | 64.5 | Low | 240 Ų | 240 | 110.7 Ų | 110.7 | 91% | 0.906 | 60% | 0.599 | S | S | * | * | trans | -58.2 | 110.5 | 174.4 | -68.4 | -175.7 | -179.9 | -169.7 | -0.2 | 106.2 | P141 S145 | P141-R143 PolarHBondContact O-N 2.99Å; R143-S145 PolarHBondContact O-N 3.08Å | ||
| 144 | T | 63.1 | Low | 66.4 | Low | 110 Ų | 110 | 108.3 Ų | 108.3 | 68% | 0.675 | 58% | 0.578 | S | S | * | * | trans | -75.1 | 66.4 | -172.9 | 41.9 | 0 | 0 | 0 | 0 | 110.5 | P142 M146 | P142-T144 PolarHBondContact O-N 2.85Å; T144-M146 PolarHBondContact O-N 2.76Å; T144-M146 VanDerWaalsContact O-N 3.08Å | ||
| 145 | S | 75.9 | Confident | 68.3 | Low | 82 Ų | 82 | 102.3 Ų | 102.3 | 57% | 0.573 | 57% | 0.567 | S | S | * | * | trans | -65.7 | 104.2 | 165.4 | 54 | 0 | 0 | 0 | 0 | 108.3 | R143 G197 | R143-S145 PolarHBondContact O-N 3.08Å; S145-G197 CarbonylContact C-O 3.59Å; S145-G197 VanDerWaalsContact CA-O 3.32Å; S145-G197 WeakPolarHBondContact CA-O 3.49Å | ||
| 146 | M | 86 | Confident | 70.4 | Confident | 93 Ų | 93 | 95.2 Ų | 95.2 | 46% | 0.458 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 139 | 173.5 | -167.6 | 168.2 | -179.6 | 0 | 0 | 108.2 | T144 E148 T196 G197 | T144-M146 PolarHBondContact O-N 2.76Å; T144-M146 VanDerWaalsContact O-N 3.08Å; M146-E148 HydrophobicContact CE-CG 3.77Å; M146-E148 HydrophobicContact CG-CG 4.04Å; M146-E148 HydrophobicContact SD-CG 4.24Å; M146-T196 WeakPolarHBondContact O-CA 3.36Å; M146-G197 PolarHBondContact N-O 2.96Å; M146-G197 PolarHBondContact O-N 2.89Å |
| 147 | T | 89.6 | Confident | 72.6 | Confident | 86 Ų | 86 | 92.9 Ų | 92.9 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 120.9 | 166.1 | -61.2 | 0 | 0 | 0 | 0 | 107.8 | L195 T196 | T147-L195 CarbonylContact C-O 3.57Å; T147-L195 VanDerWaalsContact CA-O 3.28Å; T147-L195 WeakPolarHBondContact CA-O 3.46Å; T147-T196 WeakPolarHBondContact CG2-OG1 3.32Å; T147-T196 WeakPolarHBondContact OG1-CG2 3.4Å; T147-T196 PolarHBondContact OG1-OG1 3.31Å |
| 148 | E | 91.3 | Very high | 74.7 | Confident | 50 Ų | 50 | 89.9 Ų | 89.9 | 23% | 0.234 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 140.7 | 173 | -65.9 | -168.3 | 92.1 | 0 | 0 | 110.3 | M146 L195 V202 K206 | M146-E148 HydrophobicContact CE-CG 3.77Å; M146-E148 HydrophobicContact CG-CG 4.04Å; M146-E148 HydrophobicContact SD-CG 4.24Å; E148-L195 PolarHBondContact N-O 2.91Å; E148-L195 PolarHBondContact O-N 3.04Å; E148-V202 HydrophobicContact CB-CG1 4.04Å; E148-V202 HydrophobicContact CG-CG1 4.11Å; E148-V202 WeakPolarHBondContact OE2-CG1 3.2Å; E148-K206 IonicContact OE1-NZ 3.23Å; E148-K206 PolarHBondContact OE1-NZ 3.22Å; E148-K206 VanDerWaalsContact OE2-CE 3.29Å; E148-K206 WeakPolarHBondContact OE2-CE 3.48Å; E148-K206 IonicContact OE2-NZ 3.64Å; E148-K206 PolarHBondContact OE2-NZ 3.14Å |
| 149 | E | 89.4 | Confident | 76.9 | Confident | 127 Ų | 127 | 85.8 Ų | 85.8 | 59% | 0.593 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122.5 | 170.6 | -169.6 | 179.7 | -172.3 | 0 | 0 | 109 | S192 | E149-S192 WeakPolarHBondContact OE1-CB 3.36Å; E149-S192 PolarHBondContact OE1-OG 3.33Å |
| 150 | Y | 89.5 | Confident | 79 | Confident | 45 Ų | 45 | 78.3 Ų | 78.3 | 18% | 0.176 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 144 | 176.3 | -175.7 | -103.5 | 0 | 0 | 0 | 109.3 | V152 V193 L195 K206 L209 D210 | Y150-V152 HydrophobicContact CD1-CG1 3.7Å; Y150-V152 HydrophobicContact CE1-CG1 3.61Å; Y150-V193 PolarHBondContact N-O 2.82Å; Y150-V193 WeakPolarHBondContact O-CA 3.46Å; Y150-V193 PolarHBondContact O-N 2.76Å; Y150-L195 HydrophobicContact CG-CD1 4.43Å; Y150-K206 HydrophobicContact CD2-CD 4.46Å; Y150-K206 HydrophobicContact CD2-CG 4.01Å; Y150-K206 HydrophobicContact CE2-CG 4.4Å; Y150-K206 HydrophobicContact CG-CG 4.4Å; Y150-L209 HydrophobicContact CD1-CB 4.24Å; Y150-L209 HydrophobicContact CD1-CD1 3.72Å; Y150-L209 HydrophobicContact CE1-CB 3.73Å; Y150-L209 HydrophobicContact CE1-CD1 4.1Å; Y150-D210 PolarHBondContact OH-OD1 3.37Å |
| 151 | R | 88.7 | Confident | 80.7 | Confident | 154 Ų | 154 | 75.6 Ų | 75.6 | 58% | 0.581 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.9 | -174.7 | -66.9 | -170.1 | -172.6 | 173.5 | 1.4 | 110.5 | E190 | R151-E190 HydrophobicContact CB-CB 4.21Å; R151-E190 WeakPolarHBondContact CD-OE2 3.39Å; R151-E190 IonicContact NH1-OE2 3.41Å |
| 152 | V | 89.3 | Confident | 82.6 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.006 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 143.9 | 178.5 | -58.5 | 0 | 0 | 0 | 0 | 110 | Y150 D154 V157 I160 E190 R191 V193 V213 | Y150-V152 HydrophobicContact CD1-CG1 3.7Å; Y150-V152 HydrophobicContact CE1-CG1 3.61Å; V152-D154 PolarHBondContact O-N 3.18Å; V152-V157 HydrophobicContact CG2-CG2 3.72Å; V152-I160 HydrophobicContact CB-CD1 3.7Å; V152-I160 HydrophobicContact CG1-CD1 3.72Å; V152-I160 HydrophobicContact CG2-CD1 3.75Å; V152-E190 CarbonylContact O-C 3.54Å; V152-E190 WeakPolarHBondContact O-CA 3.28Å; V152-R191 HydrophobicContact CG2-CB 4.38Å; V152-R191 PolarHBondContact N-O 2.97Å; V152-R191 PolarHBondContact O-N 2.89Å; V152-V193 HydrophobicContact CB-CG2 4.41Å; V152-V193 HydrophobicContact CG1-CG2 3.94Å; V152-V193 HydrophobicContact CG2-CG2 3.63Å; V152-V213 HydrophobicContact CB-CG2 4.17Å; V152-V213 HydrophobicContact CG1-CG2 4.17Å |
| 153 | P | 87.5 | Confident | 84.7 | Confident | 19 Ų | 19 | 76.9 Ų | 76.9 | 12% | 0.123 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 135.5 | 176.5 | -17.9 | 30.4 | 0 | 0 | 0 | 110.3 | G155 M156 P189 V213 | P153-G155 VanDerWaalsContact C-N 3.29Å; P153-G155 PolarHBondContact O-N 3.15Å; P153-M156 HydrophobicContact CB-CG 4.08Å; P153-M156 HydrophobicContact CG-CG 4.22Å; P153-M156 WeakPolarHBondContact O-CB 3.23Å; P153-M156 PolarHBondContact O-N 3.2Å; P153-P189 WeakPolarHBondContact CA-O 3.26Å; P153-V213 HydrophobicContact CG-CG1 3.87Å |
| 154 | D | 85.1 | Confident | 86.2 | Confident | 68 Ų | 68 | 69.7 Ų | 69.7 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -56.5 | -41.5 | -171.7 | -174.1 | 69.3 | 0 | 0 | 0 | 112.9 | V152 M156 V157 S185 P189 R191 | V152-D154 PolarHBondContact O-N 3.18Å; D154-M156 PolarHBondContact O-N 3.3Å; D154-V157 VanDerWaalsContact O-CB 3.25Å; D154-V157 WeakPolarHBondContact O-CB 3.34Å; D154-V157 VanDerWaalsContact O-CG2 3.23Å; D154-V157 WeakPolarHBondContact O-CG2 3.34Å; D154-V157 PolarHBondContact O-N 3.25Å; D154-S185 PolarHBondContact OD1-OG 3.18Å; D154-P189 PolarHBondContact N-O 2.95Å; D154-R191 IonicContact OD1-NH1 2.7Å; D154-R191 PolarHBondContact OD1-NH1 3.25Å |
| 155 | G | 84.4 | Confident | 87.4 | Confident | 67 Ų | 67 | 65.1 Ų | 65.1 | 69% | 0.691 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -61.7 | -15.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | P153 | P153-G155 VanDerWaalsContact C-N 3.29Å; P153-G155 PolarHBondContact O-N 3.15Å |
| 156 | M | 84.8 | Confident | 88.2 | Confident | 29 Ų | 29 | 68.1 Ų | 68.1 | 14% | 0.143 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -94.6 | -11 | 177.2 | -55.5 | -53.7 | 155.4 | 0 | 0 | 113 | P153 D154 G158 L159 I160 V213 G216 R217 | P153-M156 HydrophobicContact CB-CG 4.08Å; P153-M156 HydrophobicContact CG-CG 4.22Å; P153-M156 WeakPolarHBondContact O-CB 3.23Å; P153-M156 PolarHBondContact O-N 3.2Å; D154-M156 PolarHBondContact O-N 3.3Å; M156-G158 VanDerWaalsContact C-N 3.27Å; M156-G158 PolarHBondContact O-N 3.11Å; M156-L159 WeakPolarHBondContact O-CB 3.29Å; M156-L159 PolarHBondContact O-N 3.49Å; M156-L159 HydrophobicContact SD-CD1 4.04Å; M156-I160 WeakPolarHBondContact O-CG1 3.09Å; M156-I160 PolarHBondContact O-N 3.43Å; M156-V213 HydrophobicContact CB-CG2 4.12Å; M156-V213 HydrophobicContact CG-CG1 4.37Å; M156-G216 VanDerWaalsContact CE-C 3.46Å; M156-G216 VanDerWaalsContact CE-O 3.23Å; M156-G216 WeakPolarHBondContact CE-O 3.45Å; M156-G216 VanDerWaalsContact SD-CA 3.59Å; M156-R217 HydrophobicContact CE-CB 4.35Å; M156-R217 HydrophobicContact CE-CG 4.08Å |
| 157 | V | 88.7 | Confident | 88.5 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.036 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.6 | -37.9 | -177.4 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | V152 D154 L159 I160 I161 I181 R191 | V152-V157 HydrophobicContact CG2-CG2 3.72Å; D154-V157 VanDerWaalsContact O-CB 3.25Å; D154-V157 WeakPolarHBondContact O-CB 3.34Å; D154-V157 VanDerWaalsContact O-CG2 3.23Å; D154-V157 WeakPolarHBondContact O-CG2 3.34Å; D154-V157 PolarHBondContact O-N 3.25Å; V157-L159 VanDerWaalsContact C-N 3.31Å; V157-L159 PolarHBondContact O-N 3.13Å; V157-I160 PolarHBondContact O-N 3.1Å; V157-I161 HydrophobicContact CG1-CD1 3.72Å; V157-I161 HydrophobicContact CG1-CG1 4.3Å; V157-I161 WeakPolarHBondContact O-CG1 3.46Å; V157-I161 PolarHBondContact O-N 3.25Å; V157-I181 HydrophobicContact CG1-CD1 4.24Å; V157-I181 HydrophobicContact CG1-CG2 4.04Å; V157-R191 HydrophobicContact CG2-CB 3.98Å; V157-R191 VanDerWaalsContact CG2-CD 3.4Å; V157-R191 HydrophobicContact CG2-CG 4.33Å |
| 158 | G | 86.8 | Confident | 88.7 | Confident | 54 Ų | 54 | 62.3 Ų | 62.3 | 56% | 0.557 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.5 | -36 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | M156 G162 | M156-G158 VanDerWaalsContact C-N 3.27Å; M156-G158 PolarHBondContact O-N 3.11Å; G158-G162 PolarHBondContact O-N 3.28Å |
| 159 | L | 89.3 | Confident | 88.8 | Confident | 79 Ų | 79 | 64.4 Ų | 64.4 | 41% | 0.414 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -73.1 | -35.5 | 175.5 | -62.7 | 175.3 | 0 | 0 | 0 | 111.8 | M156 V157 I212 | M156-L159 WeakPolarHBondContact O-CB 3.29Å; M156-L159 PolarHBondContact O-N 3.49Å; M156-L159 HydrophobicContact SD-CD1 4.04Å; V157-L159 VanDerWaalsContact C-N 3.31Å; V157-L159 PolarHBondContact O-N 3.13Å; L159-I212 HydrophobicContact CB-CG2 3.87Å |
| 160 | I | 90.4 | Very high | 89 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68 | -41.7 | 176.7 | -67.2 | 161.7 | 0 | 0 | 0 | 111.4 | V152 M156 V157 I168 I171 I181 L209 I212 V213 | V152-I160 HydrophobicContact CB-CD1 3.7Å; V152-I160 HydrophobicContact CG1-CD1 3.72Å; V152-I160 HydrophobicContact CG2-CD1 3.75Å; M156-I160 WeakPolarHBondContact O-CG1 3.09Å; M156-I160 PolarHBondContact O-N 3.43Å; V157-I160 PolarHBondContact O-N 3.1Å; I160-I168 PolarHBondContact O-N 2.8Å; I160-I171 HydrophobicContact CG2-CD1 4.2Å; I160-I181 HydrophobicContact CG2-CD1 3.86Å; I160-L209 HydrophobicContact CB-CD2 4.31Å; I160-L209 HydrophobicContact CD1-CD2 4.11Å; I160-L209 HydrophobicContact CG1-CD2 4.03Å; I160-L209 HydrophobicContact CG2-CD2 3.32Å; I160-I212 HydrophobicContact CG1-CB 4.34Å; I160-I212 HydrophobicContact CG1-CG2 3.74Å; I160-V213 HydrophobicContact CD1-CG2 3.96Å |
| 161 | I | 90.3 | Very high | 89.1 | Confident | 61 Ų | 61 | 60.5 Ų | 60.5 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.6 | -44.3 | 177 | -64.7 | 171.2 | 0 | 0 | 0 | 110.3 | V157 G165 Q167 I168 I181 | V157-I161 HydrophobicContact CG1-CD1 3.72Å; V157-I161 HydrophobicContact CG1-CG1 4.3Å; V157-I161 WeakPolarHBondContact O-CG1 3.46Å; V157-I161 PolarHBondContact O-N 3.25Å; I161-G165 CarbonylContact O-C 3.59Å; I161-G165 VanDerWaalsContact O-C 3.26Å; I161-G165 VanDerWaalsContact O-CA 3.24Å; I161-G165 WeakPolarHBondContact O-CA 3.36Å; I161-Q167 PolarHBondContact O-N 3.4Å; I161-I168 HydrophobicContact CG2-CG2 4.22Å; I161-I168 PolarHBondContact O-N 2.88Å; I161-I168 VanDerWaalsContact O-N 3.15Å; I161-I181 HydrophobicContact CD1-CD1 4.2Å; I161-I181 HydrophobicContact CG1-CD1 3.7Å |
| 162 | G | 87.2 | Confident | 89.3 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 24% | 0.237 | 33% | 0.327 | C | S | . | . | trans | 73.6 | 170.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | G158 G164 G165 | G158-G162 PolarHBondContact O-N 3.28Å; G162-G164 PolarHBondContact O-N 3.2Å; G162-G165 PolarHBondContact O-N 3.26Å | ||
| 163 | R | 87.1 | Confident | 89.5 | Confident | 220 Ų | 220 | 63.3 Ų | 63.3 | 83% | 0.83 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -63.9 | 127 | 176.8 | -76.2 | -179.6 | -85.6 | 179 | -4.9 | 109.2 | G165 E166 | R163-G165 PolarHBondContact O-N 3.18Å; R163-E166 WeakPolarHBondContact O-CB 3.47Å; R163-E166 PolarHBondContact O-N 3Å |
| 164 | G | 87 | Confident | 89.8 | Confident | 89 Ų | 89 | 65.4 Ų | 65.4 | 92% | 0.918 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | 66.6 | 10.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116 | G162 E166 | G162-G164 PolarHBondContact O-N 3.2Å; G164-E166 VanDerWaalsContact C-N 3.28Å |
| 165 | G | 88.2 | Confident | 90.1 | Very high | 14 Ų | 14 | 62.5 Ų | 62.5 | 14% | 0.144 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | 77.9 | 9.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I161 G162 R163 Q167 I168 N169 | I161-G165 CarbonylContact O-C 3.59Å; I161-G165 VanDerWaalsContact O-C 3.26Å; I161-G165 VanDerWaalsContact O-CA 3.24Å; I161-G165 WeakPolarHBondContact O-CA 3.36Å; G162-G165 PolarHBondContact O-N 3.26Å; R163-G165 PolarHBondContact O-N 3.18Å; G165-Q167 VanDerWaalsContact C-N 3.34Å; G165-Q167 PolarHBondContact O-N 3.39Å; G165-I168 VanDerWaalsContact O-CG2 3.24Å; G165-I168 WeakPolarHBondContact O-CG2 3.39Å; G165-I168 PolarHBondContact O-N 2.87Å; G165-N169 WeakPolarHBondContact O-CB 3.32Å; G165-N169 PolarHBondContact O-N 3.16Å; G165-N169 PolarHBondContact O-ND2 3.46Å; G165-N169 VanDerWaalsContact O-ND2 3.16Å |
| 166 | E | 91.3 | Very high | 90.5 | Very high | 146 Ų | 146 | 61.9 Ų | 61.9 | 68% | 0.682 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -57.8 | -44.1 | -178.7 | -174.9 | 174.2 | -167.8 | 0 | 0 | 112.2 | R163 G164 N169 K170 | R163-E166 WeakPolarHBondContact O-CB 3.47Å; R163-E166 PolarHBondContact O-N 3Å; G164-E166 VanDerWaalsContact C-N 3.28Å; E166-N169 PolarHBondContact O-N 2.82Å; E166-K170 WeakPolarHBondContact O-CB 3.4Å; E166-K170 PolarHBondContact O-N 3.45Å |
| 167 | Q | 92.8 | Very high | 90.8 | Very high | 34 Ų | 34 | 60.6 Ų | 60.6 | 16% | 0.159 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70.2 | -43.7 | -176.6 | -168.6 | 71.1 | -13.3 | 0 | 0 | 112 | I161 G165 N169 K170 I171 I212 | I161-Q167 PolarHBondContact O-N 3.4Å; G165-Q167 VanDerWaalsContact C-N 3.34Å; G165-Q167 PolarHBondContact O-N 3.39Å; Q167-N169 VanDerWaalsContact C-N 3.33Å; Q167-N169 PolarHBondContact O-N 3.05Å; Q167-K170 WeakPolarHBondContact O-CB 3.45Å; Q167-K170 PolarHBondContact O-N 3.5Å; Q167-I171 HydrophobicContact CG-CD1 4.39Å; Q167-I171 VanDerWaalsContact O-CG1 3.26Å; Q167-I171 WeakPolarHBondContact O-CG1 3.24Å; Q167-I171 PolarHBondContact O-N 3.23Å; Q167-I212 HydrophobicContact CG-CD1 3.95Å |
| 168 | I | 92.8 | Very high | 91 | Very high | 22 Ų | 22 | 65.4 Ų | 65.4 | 11% | 0.113 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.1 | -33.7 | 175.5 | -173 | 172.4 | 0 | 0 | 0 | 112.2 | I160 I161 G165 Q172 V179 I181 | I160-I168 PolarHBondContact O-N 2.8Å; I161-I168 HydrophobicContact CG2-CG2 4.22Å; I161-I168 PolarHBondContact O-N 2.88Å; I161-I168 VanDerWaalsContact O-N 3.15Å; G165-I168 VanDerWaalsContact O-CG2 3.24Å; G165-I168 WeakPolarHBondContact O-CG2 3.39Å; G165-I168 PolarHBondContact O-N 2.87Å; I168-Q172 WeakPolarHBondContact O-CB 3.26Å; I168-Q172 VanDerWaalsContact O-CG 3.27Å; I168-Q172 WeakPolarHBondContact O-CG 3.17Å; I168-Q172 PolarHBondContact O-N 2.94Å; I168-Q172 PolarHBondContact O-NE2 3.4Å; I168-V179 HydrophobicContact CD1-CB 4.38Å; I168-V179 HydrophobicContact CD1-CG1 4.03Å; I168-V179 HydrophobicContact CG1-CB 4.2Å; I168-V179 HydrophobicContact CG1-CG1 4.12Å; I168-I181 HydrophobicContact CD1-CD1 3.86Å; I168-I181 HydrophobicContact CD1-CG1 3.96Å |
| 169 | N | 93.9 | Very high | 91.3 | Very high | 94 Ų | 94 | 63.1 Ų | 63.1 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 172.2 | -73 | -26 | 0 | 0 | 0 | 111.3 | G165 E166 Q167 Q172 Q173 | G165-N169 WeakPolarHBondContact O-CB 3.32Å; G165-N169 PolarHBondContact O-N 3.16Å; G165-N169 PolarHBondContact O-ND2 3.46Å; G165-N169 VanDerWaalsContact O-ND2 3.16Å; E166-N169 PolarHBondContact O-N 2.82Å; Q167-N169 VanDerWaalsContact C-N 3.33Å; Q167-N169 PolarHBondContact O-N 3.05Å; N169-Q172 PolarHBondContact O-N 3.03Å; N169-Q173 WeakPolarHBondContact O-CB 3.29Å; N169-Q173 PolarHBondContact O-N 3.28Å |
| 170 | K | 93.1 | Very high | 91.4 | Very high | 89 Ų | 89 | 64 Ų | 64 | 39% | 0.387 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 174.5 | -172.5 | -179.4 | -173.9 | -58.8 | 0 | 112.2 | E166 Q167 Q172 Q173 D174 | E166-K170 WeakPolarHBondContact O-CB 3.4Å; E166-K170 PolarHBondContact O-N 3.45Å; Q167-K170 WeakPolarHBondContact O-CB 3.45Å; Q167-K170 PolarHBondContact O-N 3.5Å; K170-Q172 VanDerWaalsContact C-N 3.33Å; K170-Q172 PolarHBondContact O-N 3.43Å; K170-Q173 PolarHBondContact O-N 3.28Å; K170-D174 IonicContact NZ-OD2 2.76Å; K170-D174 PolarHBondContact NZ-OD2 3.47Å; K170-D174 VanDerWaalsContact O-CB 3.31Å; K170-D174 WeakPolarHBondContact O-CB 3.35Å; K170-D174 PolarHBondContact O-N 3.03Å |
| 171 | I | 92.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.2 | -45 | 174.7 | -62.9 | 161.7 | 0 | 0 | 0 | 110.3 | I160 Q167 S175 V179 A205 M208 L209 I212 | I160-I171 HydrophobicContact CG2-CD1 4.2Å; Q167-I171 HydrophobicContact CG-CD1 4.39Å; Q167-I171 VanDerWaalsContact O-CG1 3.26Å; Q167-I171 WeakPolarHBondContact O-CG1 3.24Å; Q167-I171 PolarHBondContact O-N 3.23Å; I171-S175 WeakPolarHBondContact O-CB 3.24Å; I171-S175 PolarHBondContact O-N 2.92Å; I171-S175 PolarHBondContact O-OG 3.28Å; I171-V179 HydrophobicContact CG2-CG2 4.03Å; I171-A205 HydrophobicContact CG2-CB 4.49Å; I171-M208 HydrophobicContact CB-CE 4.43Å; I171-M208 HydrophobicContact CG1-CB 4.4Å; I171-M208 HydrophobicContact CG1-CE 4.13Å; I171-M208 HydrophobicContact CG2-CB 4.18Å; I171-M208 HydrophobicContact CG2-SD 4.35Å; I171-L209 HydrophobicContact CD1-CD2 4.12Å; I171-I212 HydrophobicContact CD1-CD1 3.52Å; I171-I212 HydrophobicContact CG1-CD1 4.17Å |
| 172 | Q | 92.8 | Very high | 91.3 | Very high | 51 Ų | 51 | 64.1 Ų | 64.1 | 24% | 0.238 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 178.3 | -73.6 | 178.8 | 100.8 | 0 | 0 | 112.5 | I168 N169 K170 G176 C177 V179 | I168-Q172 WeakPolarHBondContact O-CB 3.26Å; I168-Q172 VanDerWaalsContact O-CG 3.27Å; I168-Q172 WeakPolarHBondContact O-CG 3.17Å; I168-Q172 PolarHBondContact O-N 2.94Å; I168-Q172 PolarHBondContact O-NE2 3.4Å; N169-Q172 PolarHBondContact O-N 3.03Å; K170-Q172 VanDerWaalsContact C-N 3.33Å; K170-Q172 PolarHBondContact O-N 3.43Å; Q172-G176 WeakPolarHBondContact O-CA 3.49Å; Q172-G176 PolarHBondContact O-N 3.46Å; Q172-C177 VanDerWaalsContact CA-O 3.29Å; Q172-C177 WeakPolarHBondContact CA-O 3.49Å; Q172-C177 WeakPolarHBondContact CB-O 3.35Å; Q172-C177 WeakPolarHBondContact CG-O 3.42Å; Q172-V179 HydrophobicContact CG-CB 3.69Å; Q172-V179 HydrophobicContact CG-CG2 3.64Å |
| 173 | Q | 93.7 | Very high | 91 | Very high | 163 Ų | 163 | 68.2 Ų | 68.2 | 76% | 0.762 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.5 | -48.3 | 178.4 | -174.5 | 175.1 | 13 | 0 | 0 | 112.2 | N169 K170 | N169-Q173 WeakPolarHBondContact O-CB 3.29Å; N169-Q173 PolarHBondContact O-N 3.28Å; K170-Q173 PolarHBondContact O-N 3.28Å |
| 174 | D | 93.3 | Very high | 90.4 | Very high | 63 Ų | 63 | 63.8 Ų | 63.8 | 34% | 0.337 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.7 | -38.6 | -177.4 | -74 | -18.8 | 0 | 0 | 0 | 112 | K170 K204 M208 | K170-D174 IonicContact NZ-OD2 2.76Å; K170-D174 PolarHBondContact NZ-OD2 3.47Å; K170-D174 VanDerWaalsContact O-CB 3.31Å; K170-D174 WeakPolarHBondContact O-CB 3.35Å; K170-D174 PolarHBondContact O-N 3.03Å; D174-K204 WeakPolarHBondContact O-CE 3.42Å; D174-K204 PolarHBondContact O-NZ 3.38Å; D174-M208 HydrophobicContact CB-CE 3.76Å; D174-M208 HydrophobicContact CB-SD 3.88Å; D174-M208 WeakPolarHBondContact OD2-CE 3.5Å |
| 175 | S | 92.3 | Very high | 89.5 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 5% | 0.049 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -81 | -27 | -179.7 | 65.7 | 0 | 0 | 0 | 0 | 113.7 | I171 C177 S201 | I171-S175 WeakPolarHBondContact O-CB 3.24Å; I171-S175 PolarHBondContact O-N 2.92Å; I171-S175 PolarHBondContact O-OG 3.28Å; S175-C177 PolarHBondContact O-N 2.88Å; S175-C177 VanDerWaalsContact OG-CB 3.26Å; S175-C177 WeakPolarHBondContact OG-CB 3.5Å; S175-C177 PolarHBondContact OG-N 3.34Å; S175-S201 VanDerWaalsContact O-CA 3.3Å; S175-S201 WeakPolarHBondContact O-CA 3.27Å; S175-S201 WeakPolarHBondContact O-CB 3.4Å; S175-S201 PolarHBondContact O-OG 3.45Å |
| 176 | G | 91.2 | Very high | 88.6 | Confident | 54 Ų | 54 | 63.5 Ų | 63.5 | 56% | 0.557 | 36% | 0.355 | S | S | * | . | trans | 67.8 | 12.8 | -165 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q172 | Q172-G176 WeakPolarHBondContact O-CA 3.49Å; Q172-G176 PolarHBondContact O-N 3.46Å | ||
| 177 | C | 91.4 | Very high | 87.6 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.02 | 36% | 0.364 | C | S | . | . | trans | -100.3 | 140.9 | 176.9 | -170.7 | 0 | 0 | 0 | 0 | 109.9 | Q172 S175 T196 A205 | Q172-C177 VanDerWaalsContact CA-O 3.29Å; Q172-C177 WeakPolarHBondContact CA-O 3.49Å; Q172-C177 WeakPolarHBondContact CB-O 3.35Å; Q172-C177 WeakPolarHBondContact CG-O 3.42Å; S175-C177 PolarHBondContact O-N 2.88Å; S175-C177 VanDerWaalsContact OG-CB 3.26Å; S175-C177 WeakPolarHBondContact OG-CB 3.5Å; S175-C177 PolarHBondContact OG-N 3.34Å; C177-T196 VanDerWaalsContact SG-C 3.57Å; C177-T196 PolarHBondContact SG-N 2.87Å; C177-T196 PolarHBondContact SG-O 3.25Å; C177-T196 VanDerWaalsContact SG-O 3.41Å; C177-A205 HydrophobicContact CB-CB 3.77Å | ||
| 178 | K | 93.6 | Very high | 86.7 | Confident | 107 Ų | 107 | 64.3 Ų | 64.3 | 47% | 0.465 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 122 | 168.5 | -173.5 | -173.6 | -178.9 | -161.8 | 0 | 108.9 | Q180 T196 | K178-Q180 HydrophobicContact CD-CG 4.47Å; K178-Q180 HydrophobicContact CG-CG 4.32Å; K178-Q180 VanDerWaalsContact NZ-OE1 3.14Å; K178-T196 PolarHBondContact N-O 3.24Å; K178-T196 PolarHBondContact O-N 2.83Å |
| 179 | V | 93.5 | Very high | 86.1 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.03 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 117.8 | -177.5 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | I168 I171 Q172 V193 L195 | I168-V179 HydrophobicContact CD1-CB 4.38Å; I168-V179 HydrophobicContact CD1-CG1 4.03Å; I168-V179 HydrophobicContact CG1-CB 4.2Å; I168-V179 HydrophobicContact CG1-CG1 4.12Å; I171-V179 HydrophobicContact CG2-CG2 4.03Å; Q172-V179 HydrophobicContact CG-CB 3.69Å; Q172-V179 HydrophobicContact CG-CG2 3.64Å; V179-V193 HydrophobicContact CG1-CG1 3.56Å; V179-L195 HydrophobicContact CB-CD2 4.21Å; V179-L195 HydrophobicContact CG1-CD2 3.96Å; V179-L195 HydrophobicContact CG2-CD2 3.72Å |
| 180 | Q | 91.8 | Very high | 85.7 | Confident | 98 Ų | 98 | 67.5 Ų | 67.5 | 46% | 0.458 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 118.3 | 176.1 | -60.3 | -167.3 | -92.6 | 0 | 0 | 109.9 | K178 V193 S194 | K178-Q180 HydrophobicContact CD-CG 4.47Å; K178-Q180 HydrophobicContact CG-CG 4.32Å; K178-Q180 VanDerWaalsContact NZ-OE1 3.14Å; Q180-V193 CarbonylContact O-C 3.49Å; Q180-V193 WeakPolarHBondContact O-CA 3.44Å; Q180-S194 PolarHBondContact N-O 2.9Å; Q180-S194 PolarHBondContact O-N 2.83Å |
| 181 | I | 90.4 | Very high | 85.4 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 17% | 0.169 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 131.4 | 177 | -53.1 | -178 | 0 | 0 | 0 | 108.2 | V157 I160 I161 I168 R191 V193 | V157-I181 HydrophobicContact CG1-CD1 4.24Å; V157-I181 HydrophobicContact CG1-CG2 4.04Å; I160-I181 HydrophobicContact CG2-CD1 3.86Å; I161-I181 HydrophobicContact CD1-CD1 4.2Å; I161-I181 HydrophobicContact CG1-CD1 3.7Å; I168-I181 HydrophobicContact CD1-CD1 3.86Å; I168-I181 HydrophobicContact CD1-CG1 3.96Å; I181-R191 HydrophobicContact CG2-CG 4.06Å; I181-V193 HydrophobicContact CG1-CG1 4.11Å; I181-V193 HydrophobicContact CG1-CG2 4.06Å; I181-V193 HydrophobicContact CG2-CG2 4.33Å |
| 182 | S | 86.9 | Confident | 85.2 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 22% | 0.217 | 41% | 0.405 | C | S | . | . | trans | -56.2 | 141.4 | 176.5 | -66.4 | 0 | 0 | 0 | 0 | 111.3 | D184 R191 S192 | S182-D184 VanDerWaalsContact C-N 3.28Å; S182-D184 PolarHBondContact O-N 3.47Å; S182-R191 VanDerWaalsContact O-CZ 3.25Å; S182-R191 PolarHBondContact O-NE 3.41Å; S182-R191 PolarHBondContact O-NH2 3.2Å; S182-S192 PolarHBondContact N-O 2.99Å; S182-S192 PolarHBondContact OG-O 3.04Å; S182-S192 PolarHBondContact OG-OG 2.69Å | ||
| 183 | P | 80.8 | Confident | 85.2 | Confident | 109 Ų | 109 | 64.5 Ų | 64.5 | 71% | 0.708 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -68.5 | -27.7 | -177.9 | 27.5 | -34.7 | 0 | 0 | 0 | 113 | R191 | P183-R191 PolarHBondContact O-NH2 3.38Š|
| 184 | D | 75.8 | Confident | 85.2 | Confident | 127 Ų | 127 | 58.6 Ų | 58.6 | 68% | 0.679 | 37% | 0.37 | S | S | * | . | trans | -127.5 | 143.8 | 178.8 | -62.2 | -62.9 | 0 | 0 | 0 | 110.5 | S182 G186 | S182-D184 VanDerWaalsContact C-N 3.28Å; S182-D184 PolarHBondContact O-N 3.47Å; D184-G186 VanDerWaalsContact C-N 3.27Å; D184-G186 PolarHBondContact O-N 3.36Å | ||
| 185 | S | 68.1 | Low | 85.2 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 16% | 0.161 | 35% | 0.354 | C | S | . | . | trans | -87.4 | 5 | 178.1 | -49.1 | 0 | 0 | 0 | 0 | 112.5 | D154 G187 L188 R191 | D154-S185 PolarHBondContact OD1-OG 3.18Å; S185-G187 PolarHBondContact O-N 2.93Å; S185-L188 WeakPolarHBondContact O-CB 3.29Å; S185-L188 PolarHBondContact O-N 3.45Å; S185-R191 WeakPolarHBondContact OG-CD 3.46Å; S185-R191 VanDerWaalsContact OG-CG 3.29Å; S185-R191 WeakPolarHBondContact OG-CG 3.5Å | ||
| 186 | G | 68.6 | Low | 85.2 | Confident | 74 Ų | 74 | 57.1 Ų | 57.1 | 76% | 0.763 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 15.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | D184 L188 | D184-G186 VanDerWaalsContact C-N 3.27Å; D184-G186 PolarHBondContact O-N 3.36Å; G186-L188 VanDerWaalsContact C-N 3.29Å |
| 187 | G | 69.8 | Low | 85.2 | Confident | 83 Ų | 83 | 55 Ų | 55 | 86% | 0.856 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | 3.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S185 | S185-G187 PolarHBondContact O-N 2.93Š|
| 188 | L | 74.6 | Confident | 85.2 | Confident | 114 Ų | 114 | 57.1 Ų | 57.1 | 60% | 0.597 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -84 | 150.4 | 174.3 | -66.4 | 166.3 | 0 | 0 | 0 | 110.6 | S185 G186 E190 | S185-L188 WeakPolarHBondContact O-CB 3.29Å; S185-L188 PolarHBondContact O-N 3.45Å; G186-L188 VanDerWaalsContact C-N 3.29Å; L188-E190 PolarHBondContact O-N 3.45Å |
| 189 | P | 80 | Confident | 85.1 | Confident | 105 Ų | 105 | 55.3 Ų | 55.3 | 68% | 0.682 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -69.3 | -9.7 | 174 | 30.6 | -36.5 | 0 | 0 | 0 | 113.1 | P153 D154 | P153-P189 WeakPolarHBondContact CA-O 3.26Å; D154-P189 PolarHBondContact N-O 2.95Å |
| 190 | E | 85.1 | Confident | 85 | Confident | 78 Ų | 78 | 63 Ų | 63 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 134.3 | 179.7 | -65.4 | 178.9 | 166.7 | 0 | 0 | 109.8 | R151 V152 L188 | R151-E190 HydrophobicContact CB-CB 4.21Å; R151-E190 WeakPolarHBondContact CD-OE2 3.39Å; R151-E190 IonicContact NH1-OE2 3.41Å; V152-E190 CarbonylContact O-C 3.54Å; V152-E190 WeakPolarHBondContact O-CA 3.28Å; L188-E190 PolarHBondContact O-N 3.45Å |
| 191 | R | 87.1 | Confident | 85.1 | Confident | 48 Ų | 48 | 59.5 Ų | 59.5 | 18% | 0.181 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 136.4 | 177.1 | -166.9 | 176.9 | -170 | 136.3 | -6.7 | 109.5 | V152 D154 V157 I181 S182 P183 S185 | V152-R191 HydrophobicContact CG2-CB 4.38Å; V152-R191 PolarHBondContact N-O 2.97Å; V152-R191 PolarHBondContact O-N 2.89Å; D154-R191 IonicContact OD1-NH1 2.7Å; D154-R191 PolarHBondContact OD1-NH1 3.25Å; V157-R191 HydrophobicContact CG2-CB 3.98Å; V157-R191 VanDerWaalsContact CG2-CD 3.4Å; V157-R191 HydrophobicContact CG2-CG 4.33Å; I181-R191 HydrophobicContact CG2-CG 4.06Å; S182-R191 VanDerWaalsContact O-CZ 3.25Å; S182-R191 PolarHBondContact O-NE 3.41Å; S182-R191 PolarHBondContact O-NH2 3.2Å; P183-R191 PolarHBondContact O-NH2 3.38Å; S185-R191 WeakPolarHBondContact OG-CD 3.46Å; S185-R191 VanDerWaalsContact OG-CG 3.29Å; S185-R191 WeakPolarHBondContact OG-CG 3.5Å |
| 192 | S | 89 | Confident | 85.3 | Confident | 29 Ų | 29 | 58 Ų | 58 | 20% | 0.203 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 139.8 | 179.5 | 50.5 | 0 | 0 | 0 | 0 | 112.6 | E149 S182 | E149-S192 WeakPolarHBondContact OE1-CB 3.36Å; E149-S192 PolarHBondContact OE1-OG 3.33Å; S182-S192 PolarHBondContact N-O 2.99Å; S182-S192 PolarHBondContact OG-O 3.04Å; S182-S192 PolarHBondContact OG-OG 2.69Å |
| 193 | V | 92.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 109.8 | 179.1 | -175 | 0 | 0 | 0 | 0 | 107.8 | Y150 V152 V179 Q180 I181 L195 L209 | Y150-V193 PolarHBondContact N-O 2.82Å; Y150-V193 WeakPolarHBondContact O-CA 3.46Å; Y150-V193 PolarHBondContact O-N 2.76Å; V152-V193 HydrophobicContact CB-CG2 4.41Å; V152-V193 HydrophobicContact CG1-CG2 3.94Å; V152-V193 HydrophobicContact CG2-CG2 3.63Å; V179-V193 HydrophobicContact CG1-CG1 3.56Å; Q180-V193 CarbonylContact O-C 3.49Å; Q180-V193 WeakPolarHBondContact O-CA 3.44Å; I181-V193 HydrophobicContact CG1-CG1 4.11Å; I181-V193 HydrophobicContact CG1-CG2 4.06Å; I181-V193 HydrophobicContact CG2-CG2 4.33Å; V193-L195 HydrophobicContact CG1-CD2 4.07Å; V193-L209 HydrophobicContact CG1-CD1 4.06Å |
| 194 | S | 93.1 | Very high | 86.1 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 28% | 0.28 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 124.1 | 173.8 | -55 | 0 | 0 | 0 | 0 | 110.2 | Q180 | Q180-S194 PolarHBondContact N-O 2.9Å; Q180-S194 PolarHBondContact O-N 2.83Å |
| 195 | L | 94.1 | Very high | 87 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 106.6 | 179 | -62.6 | 179.1 | 0 | 0 | 0 | 109.2 | T147 E148 Y150 V179 V193 V202 A205 K206 L209 | T147-L195 CarbonylContact C-O 3.57Å; T147-L195 VanDerWaalsContact CA-O 3.28Å; T147-L195 WeakPolarHBondContact CA-O 3.46Å; E148-L195 PolarHBondContact N-O 2.91Å; E148-L195 PolarHBondContact O-N 3.04Å; Y150-L195 HydrophobicContact CG-CD1 4.43Å; V179-L195 HydrophobicContact CB-CD2 4.21Å; V179-L195 HydrophobicContact CG1-CD2 3.96Å; V179-L195 HydrophobicContact CG2-CD2 3.72Å; V193-L195 HydrophobicContact CG1-CD2 4.07Å; L195-V202 HydrophobicContact CB-CG1 3.84Å; L195-V202 HydrophobicContact CB-CG2 4.46Å; L195-V202 HydrophobicContact CD1-CG1 4.24Å; L195-A205 HydrophobicContact CD1-CB 4.32Å; L195-A205 HydrophobicContact CD2-CB 3.95Å; L195-K206 HydrophobicContact CD1-CB 4.5Å; L195-K206 HydrophobicContact CD1-CG 3.51Å; L195-L209 HydrophobicContact CD1-CD1 4.16Å; L195-L209 HydrophobicContact CD2-CD1 3.94Å |
| 196 | T | 93 | Very high | 88.2 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 24% | 0.239 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 117.9 | -180 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | M146 T147 C177 K178 | M146-T196 WeakPolarHBondContact O-CA 3.36Å; T147-T196 WeakPolarHBondContact CG2-OG1 3.32Å; T147-T196 WeakPolarHBondContact OG1-CG2 3.4Å; T147-T196 PolarHBondContact OG1-OG1 3.31Å; C177-T196 VanDerWaalsContact SG-C 3.57Å; C177-T196 PolarHBondContact SG-N 2.87Å; C177-T196 PolarHBondContact SG-O 3.25Å; C177-T196 VanDerWaalsContact SG-O 3.41Å; K178-T196 PolarHBondContact N-O 3.24Å; K178-T196 PolarHBondContact O-N 2.83Å |
| 197 | G | 91.3 | Very high | 89.3 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | -168.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S145 M146 | S145-G197 CarbonylContact C-O 3.59Å; S145-G197 VanDerWaalsContact CA-O 3.32Å; S145-G197 WeakPolarHBondContact CA-O 3.49Å; M146-G197 PolarHBondContact N-O 2.96Å; M146-G197 PolarHBondContact O-N 2.89Å |
| 198 | A | 91.7 | Very high | 90.4 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 39% | 0.388 | 30% | 0.304 | S | S | . | . | trans | -61.5 | 151.9 | 163 | 0 | 0 | 0 | 0 | 0 | 109.6 | E200 S201 V202 | A198-E200 PolarHBondContact O-N 2.61Å; A198-S201 WeakPolarHBondContact O-CA 3.38Å; A198-S201 WeakPolarHBondContact O-CB 3.31Å; A198-S201 PolarHBondContact O-N 3.08Å; A198-V202 WeakPolarHBondContact O-CG2 3.38Å; A198-V202 PolarHBondContact O-N 3Å | ||
| 199 | P | 90.8 | Very high | 91.3 | Very high | 69 Ų | 69 | 51.1 Ų | 51.1 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.2 | -37.3 | -179.1 | 21.2 | -33.2 | 0 | 0 | 0 | 112.8 | V202 Q203 | P199-V202 PolarHBondContact O-N 3.03Å; P199-Q203 WeakPolarHBondContact O-CB 3.4Å; P199-Q203 PolarHBondContact O-N 2.69Å |
| 200 | E | 91.4 | Very high | 91.8 | Very high | 167 Ų | 167 | 50.1 Ų | 50.1 | 78% | 0.78 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64 | -42.7 | 174 | -62.4 | 176.6 | 177.6 | 0 | 0 | 112.3 | A198 Q203 K204 | A198-E200 PolarHBondContact O-N 2.61Å; E200-Q203 PolarHBondContact O-N 3.39Å; E200-K204 WeakPolarHBondContact O-CB 3.2Å; E200-K204 PolarHBondContact O-N 3.49Å |
| 201 | S | 93.8 | Very high | 92 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 175.8 | -63 | 0 | 0 | 0 | 0 | 112.3 | S175 A198 K204 A205 | S175-S201 VanDerWaalsContact O-CA 3.3Å; S175-S201 WeakPolarHBondContact O-CA 3.27Å; S175-S201 WeakPolarHBondContact O-CB 3.4Å; S175-S201 PolarHBondContact O-OG 3.45Å; A198-S201 WeakPolarHBondContact O-CA 3.38Å; A198-S201 WeakPolarHBondContact O-CB 3.31Å; A198-S201 PolarHBondContact O-N 3.08Å; S201-K204 PolarHBondContact O-N 3.16Å; S201-A205 WeakPolarHBondContact O-CB 3.09Å; S201-A205 PolarHBondContact O-N 2.68Å |
| 202 | V | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 177.1 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | E148 L195 A198 P199 K204 A205 K206 | E148-V202 HydrophobicContact CB-CG1 4.04Å; E148-V202 HydrophobicContact CG-CG1 4.11Å; E148-V202 WeakPolarHBondContact OE2-CG1 3.2Å; L195-V202 HydrophobicContact CB-CG1 3.84Å; L195-V202 HydrophobicContact CB-CG2 4.46Å; L195-V202 HydrophobicContact CD1-CG1 4.24Å; A198-V202 WeakPolarHBondContact O-CG2 3.38Å; A198-V202 PolarHBondContact O-N 3Å; P199-V202 PolarHBondContact O-N 3.03Å; V202-K204 PolarHBondContact O-N 2.89Å; V202-A205 PolarHBondContact O-N 2.91Å; V202-K206 WeakPolarHBondContact O-CG 3.4Å; V202-K206 PolarHBondContact O-N 3.06Å |
| 203 | Q | 92.4 | Very high | 92 | Very high | 105 Ų | 105 | 47.6 Ų | 47.6 | 49% | 0.491 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 176.3 | -171 | 66.5 | 1.6 | 0 | 0 | 112 | P199 E200 K206 M207 | P199-Q203 WeakPolarHBondContact O-CB 3.4Å; P199-Q203 PolarHBondContact O-N 2.69Å; E200-Q203 PolarHBondContact O-N 3.39Å; Q203-K206 WeakPolarHBondContact O-CB 3.3Å; Q203-K206 PolarHBondContact O-N 3.04Å; Q203-M207 WeakPolarHBondContact O-CG 3.33Å; Q203-M207 PolarHBondContact O-N 3.13Å |
| 204 | K | 93.6 | Very high | 91.7 | Very high | 106 Ų | 106 | 51.1 Ų | 51.1 | 46% | 0.461 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 174.1 | -173.3 | 169.6 | 176.3 | -168.8 | 0 | 111.9 | D174 E200 S201 V202 M207 M208 | D174-K204 WeakPolarHBondContact O-CE 3.42Å; D174-K204 PolarHBondContact O-NZ 3.38Å; E200-K204 WeakPolarHBondContact O-CB 3.2Å; E200-K204 PolarHBondContact O-N 3.49Å; S201-K204 PolarHBondContact O-N 3.16Å; V202-K204 PolarHBondContact O-N 2.89Å; K204-M207 PolarHBondContact O-N 3.46Å; K204-M208 WeakPolarHBondContact O-CG 3.32Å; K204-M208 PolarHBondContact O-N 3.17Å; K204-M208 VanDerWaalsContact O-N 3.08Å |
| 205 | A | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I171 C177 L195 S201 V202 M207 M208 L209 | I171-A205 HydrophobicContact CG2-CB 4.49Å; C177-A205 HydrophobicContact CB-CB 3.77Å; L195-A205 HydrophobicContact CD1-CB 4.32Å; L195-A205 HydrophobicContact CD2-CB 3.95Å; S201-A205 WeakPolarHBondContact O-CB 3.09Å; S201-A205 PolarHBondContact O-N 2.68Å; V202-A205 PolarHBondContact O-N 2.91Å; A205-M207 PolarHBondContact O-N 3.12Å; A205-M208 PolarHBondContact O-N 3.09Å; A205-L209 WeakPolarHBondContact O-CG 3.44Å; A205-L209 PolarHBondContact O-N 3.42Å |
| 206 | K | 92.9 | Very high | 89.8 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.6 | -47.5 | 172.9 | -76 | 176 | 169.1 | 172.2 | 0 | 111.6 | E148 Y150 L195 V202 Q203 M208 L209 D210 | E148-K206 IonicContact OE1-NZ 3.23Å; E148-K206 PolarHBondContact OE1-NZ 3.22Å; E148-K206 VanDerWaalsContact OE2-CE 3.29Å; E148-K206 WeakPolarHBondContact OE2-CE 3.48Å; E148-K206 IonicContact OE2-NZ 3.64Å; E148-K206 PolarHBondContact OE2-NZ 3.14Å; Y150-K206 HydrophobicContact CD2-CD 4.46Å; Y150-K206 HydrophobicContact CD2-CG 4.01Å; Y150-K206 HydrophobicContact CE2-CG 4.4Å; Y150-K206 HydrophobicContact CG-CG 4.4Å; L195-K206 HydrophobicContact CD1-CB 4.5Å; L195-K206 HydrophobicContact CD1-CG 3.51Å; V202-K206 WeakPolarHBondContact O-CG 3.4Å; V202-K206 PolarHBondContact O-N 3.06Å; Q203-K206 WeakPolarHBondContact O-CB 3.3Å; Q203-K206 PolarHBondContact O-N 3.04Å; K206-M208 PolarHBondContact O-N 2.79Å; K206-L209 PolarHBondContact O-N 3.34Å; K206-D210 WeakPolarHBondContact O-CB 3.47Å; K206-D210 PolarHBondContact O-N 3.42Å |
| 207 | M | 92.3 | Very high | 88.4 | Confident | 129 Ų | 129 | 64.2 Ų | 64.2 | 64% | 0.635 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.4 | -41.8 | 177.8 | -69.2 | 175.4 | 67.9 | 0 | 0 | 112.6 | Q203 K204 A205 D210 D211 | Q203-M207 WeakPolarHBondContact O-CG 3.33Å; Q203-M207 PolarHBondContact O-N 3.13Å; K204-M207 PolarHBondContact O-N 3.46Å; A205-M207 PolarHBondContact O-N 3.12Å; M207-D210 PolarHBondContact O-N 2.78Å; M207-D211 WeakPolarHBondContact O-CB 3.18Å; M207-D211 PolarHBondContact O-N 2.96Å |
| 208 | M | 91.9 | Very high | 86.2 | Confident | 37 Ų | 37 | 67.2 Ų | 67.2 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.7 | -35.2 | 177.3 | -67.6 | -179.8 | 76.9 | 0 | 0 | 112.6 | I171 D174 K204 A205 K206 I212 | I171-M208 HydrophobicContact CB-CE 4.43Å; I171-M208 HydrophobicContact CG1-CB 4.4Å; I171-M208 HydrophobicContact CG1-CE 4.13Å; I171-M208 HydrophobicContact CG2-CB 4.18Å; I171-M208 HydrophobicContact CG2-SD 4.35Å; D174-M208 HydrophobicContact CB-CE 3.76Å; D174-M208 HydrophobicContact CB-SD 3.88Å; D174-M208 WeakPolarHBondContact OD2-CE 3.5Å; K204-M208 WeakPolarHBondContact O-CG 3.32Å; K204-M208 PolarHBondContact O-N 3.17Å; K204-M208 VanDerWaalsContact O-N 3.08Å; A205-M208 PolarHBondContact O-N 3.09Å; K206-M208 PolarHBondContact O-N 2.79Å; M208-I212 WeakPolarHBondContact O-CD1 3.49Å; M208-I212 VanDerWaalsContact O-CG1 3.29Å; M208-I212 WeakPolarHBondContact O-CG1 3.35Å; M208-I212 PolarHBondContact O-N 2.91Å |
| 209 | L | 92.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.3 | -45.4 | 174.1 | -71.1 | 172.3 | 0 | 0 | 0 | 111.6 | Y150 I160 I171 V193 L195 A205 K206 D211 I212 V213 | Y150-L209 HydrophobicContact CD1-CB 4.24Å; Y150-L209 HydrophobicContact CD1-CD1 3.72Å; Y150-L209 HydrophobicContact CE1-CB 3.73Å; Y150-L209 HydrophobicContact CE1-CD1 4.1Å; I160-L209 HydrophobicContact CB-CD2 4.31Å; I160-L209 HydrophobicContact CD1-CD2 4.11Å; I160-L209 HydrophobicContact CG1-CD2 4.03Å; I160-L209 HydrophobicContact CG2-CD2 3.32Å; I171-L209 HydrophobicContact CD1-CD2 4.12Å; V193-L209 HydrophobicContact CG1-CD1 4.06Å; L195-L209 HydrophobicContact CD1-CD1 4.16Å; L195-L209 HydrophobicContact CD2-CD1 3.94Å; A205-L209 WeakPolarHBondContact O-CG 3.44Å; A205-L209 PolarHBondContact O-N 3.42Å; K206-L209 PolarHBondContact O-N 3.34Å; L209-D211 VanDerWaalsContact C-N 3.34Å; L209-D211 PolarHBondContact O-N 2.79Å; L209-I212 PolarHBondContact O-N 3.36Å; L209-V213 WeakPolarHBondContact O-CG2 3.35Å; L209-V213 PolarHBondContact O-N 2.82Å |
| 210 | D | 90.6 | Very high | 81.1 | Confident | 84 Ų | 84 | 71 Ų | 71 | 45% | 0.449 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 179.8 | -163.1 | 72.2 | 0 | 0 | 0 | 112.2 | Y150 K206 M207 V213 S214 | Y150-D210 PolarHBondContact OH-OD1 3.37Å; K206-D210 WeakPolarHBondContact O-CB 3.47Å; K206-D210 PolarHBondContact O-N 3.42Å; M207-D210 PolarHBondContact O-N 2.78Å; D210-V213 PolarHBondContact O-N 2.9Å; D210-S214 WeakPolarHBondContact O-CB 3.5Å; D210-S214 PolarHBondContact O-N 3.11Å; D210-S214 PolarHBondContact O-OG 2.87Å |
| 211 | D | 89.3 | Confident | 78.6 | Confident | 79 Ų | 79 | 69.5 Ų | 69.5 | 42% | 0.422 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 173.5 | 176.7 | 45.3 | 0 | 0 | 0 | 112.4 | M207 L209 R215 | M207-D211 WeakPolarHBondContact O-CB 3.18Å; M207-D211 PolarHBondContact O-N 2.96Å; L209-D211 VanDerWaalsContact C-N 3.34Å; L209-D211 PolarHBondContact O-N 2.79Å; D211-R215 VanDerWaalsContact CG-CZ 3.44Å; D211-R215 VanDerWaalsContact CG-NH2 3.28Å; D211-R215 WeakPolarHBondContact O-CG 3.36Å; D211-R215 PolarHBondContact O-N 2.84Å; D211-R215 VanDerWaalsContact O-N 3.13Å; D211-R215 IonicContact OD1-CZ 2.65Å; D211-R215 IonicContact OD1-NH1 3.68Å; D211-R215 PolarHBondContact OD1-NH1 2.83Å; D211-R215 IonicContact OD1-NH2 3.38Å; D211-R215 IonicContact OD2-CZ 2.79Å; D211-R215 IonicContact OD2-NH1 2.69Å; D211-R215 PolarHBondContact OD2-NH1 3.11Å; D211-R215 IonicContact OD2-NH2 3.1Å; D211-R215 PolarHBondContact OD2-NH2 3.46Å |
| 212 | I | 89.6 | Confident | 75.8 | Confident | 9 Ų | 9 | 71.5 Ų | 71.5 | 5% | 0.046 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -69.9 | -43.5 | 174.9 | -65.8 | 164.7 | 0 | 0 | 0 | 111.5 | L159 I160 Q167 I171 M208 L209 R215 G216 | L159-I212 HydrophobicContact CB-CG2 3.87Å; I160-I212 HydrophobicContact CG1-CB 4.34Å; I160-I212 HydrophobicContact CG1-CG2 3.74Å; Q167-I212 HydrophobicContact CG-CD1 3.95Å; I171-I212 HydrophobicContact CD1-CD1 3.52Å; I171-I212 HydrophobicContact CG1-CD1 4.17Å; M208-I212 WeakPolarHBondContact O-CD1 3.49Å; M208-I212 VanDerWaalsContact O-CG1 3.29Å; M208-I212 WeakPolarHBondContact O-CG1 3.35Å; M208-I212 PolarHBondContact O-N 2.91Å; L209-I212 PolarHBondContact O-N 3.36Å; I212-R215 PolarHBondContact O-N 2.77Å; I212-G216 PolarHBondContact O-N 3.45Å |
| 213 | V | 87.7 | Confident | 73.1 | Confident | 14 Ų | 14 | 79.6 Ų | 79.6 | 9% | 0.085 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 177.9 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | V152 P153 M156 I160 L209 D210 G216 R217 | V152-V213 HydrophobicContact CB-CG2 4.17Å; V152-V213 HydrophobicContact CG1-CG2 4.17Å; P153-V213 HydrophobicContact CG-CG1 3.87Å; M156-V213 HydrophobicContact CB-CG2 4.12Å; M156-V213 HydrophobicContact CG-CG1 4.37Å; I160-V213 HydrophobicContact CD1-CG2 3.96Å; L209-V213 WeakPolarHBondContact O-CG2 3.35Å; L209-V213 PolarHBondContact O-N 2.82Å; D210-V213 PolarHBondContact O-N 2.9Å; V213-G216 PolarHBondContact O-N 3.02Å; V213-G216 VanDerWaalsContact O-N 3.11Å; V213-R217 PolarHBondContact O-N 2.84Å; V213-R217 VanDerWaalsContact O-N 3.1Å |
| 214 | S | 84.8 | Confident | 70.4 | Confident | 74 Ų | 74 | 81.7 Ų | 81.7 | 52% | 0.517 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 179 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | D210 G216 R217 | D210-S214 WeakPolarHBondContact O-CB 3.5Å; D210-S214 PolarHBondContact O-N 3.11Å; D210-S214 PolarHBondContact O-OG 2.87Å; S214-G216 PolarHBondContact O-N 2.67Å; S214-R217 PolarHBondContact O-N 3.16Å |
| 215 | R | 79.3 | Confident | 67.9 | Low | 152 Ų | 152 | 82.9 Ų | 82.9 | 57% | 0.574 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61 | -25.9 | 173.3 | -79.6 | -169 | -69.2 | -101.1 | -7 | 113.8 | D211 I212 | D211-R215 VanDerWaalsContact CG-CZ 3.44Å; D211-R215 VanDerWaalsContact CG-NH2 3.28Å; D211-R215 WeakPolarHBondContact O-CG 3.36Å; D211-R215 PolarHBondContact O-N 2.84Å; D211-R215 VanDerWaalsContact O-N 3.13Å; D211-R215 IonicContact OD1-CZ 2.65Å; D211-R215 IonicContact OD1-NH1 3.68Å; D211-R215 PolarHBondContact OD1-NH1 2.83Å; D211-R215 IonicContact OD1-NH2 3.38Å; D211-R215 IonicContact OD2-CZ 2.79Å; D211-R215 IonicContact OD2-NH1 2.69Å; D211-R215 PolarHBondContact OD2-NH1 3.11Å; D211-R215 IonicContact OD2-NH2 3.1Å; D211-R215 PolarHBondContact OD2-NH2 3.46Å; I212-R215 PolarHBondContact O-N 2.77Å |
| 216 | G | 68.9 | Low | 65.3 | Low | 28 Ų | 28 | 88.1 Ų | 88.1 | 29% | 0.289 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -91 | -23.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | M156 I212 V213 S214 | M156-G216 VanDerWaalsContact CE-C 3.46Å; M156-G216 VanDerWaalsContact CE-O 3.23Å; M156-G216 WeakPolarHBondContact CE-O 3.45Å; M156-G216 VanDerWaalsContact SD-CA 3.59Å; I212-G216 PolarHBondContact O-N 3.45Å; V213-G216 PolarHBondContact O-N 3.02Å; V213-G216 VanDerWaalsContact O-N 3.11Å; S214-G216 PolarHBondContact O-N 2.67Å |
| 217 | R | 63.7 | Low | 62.7 | Low | 174 Ų | 174 | 92.8 Ų | 92.8 | 66% | 0.657 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -86.3 | -3.6 | -163.3 | -130 | -167.5 | -157.6 | -117.1 | 11.3 | 117.3 | M156 V213 S214 | M156-R217 HydrophobicContact CE-CB 4.35Å; M156-R217 HydrophobicContact CE-CG 4.08Å; V213-R217 PolarHBondContact O-N 2.84Å; V213-R217 VanDerWaalsContact O-N 3.1Å; S214-R217 PolarHBondContact O-N 3.16Å |
| 218 | G | 45.2 | Very low | 60.2 | Low | 73 Ų | 73 | 91.4 Ų | 91.4 | 75% | 0.753 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -178 | 108.6 | 178 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 219 | G | 35.1 | Very low | 57.6 | Low | 67 Ų | 67 | 95.7 Ų | 95.7 | 69% | 0.691 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 161.8 | 150.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 220 | P | 40.6 | Very low | 54.6 | Low | 128 Ų | 128 | 99.6 Ų | 99.6 | 83% | 0.831 | 60% | 0.601 | S | S | * | * | trans | -61.3 | 160.6 | 176.5 | -21.8 | 34.1 | 0 | 0 | 0 | 113.5 | ||||
| 221 | P | 38.9 | Very low | 51.7 | Low | 135 Ų | 135 | 98.3 Ų | 98.3 | 88% | 0.877 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -82 | 137 | -162.3 | 31.6 | -35.8 | 0 | 0 | 0 | 115 | ||
| 222 | G | 34.7 | Very low | 49.4 | Very low | 67 Ų | 67 | 103.8 Ų | 103.8 | 69% | 0.691 | 63% | 0.631 | S | S | * | * | trans | 104.7 | 132.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 223 | Q | 35.9 | Very low | 47.3 | Very low | 170 Ų | 170 | 111 Ų | 111 | 79% | 0.794 | 67% | 0.669 | S | S | * | * | cis | -159.2 | 88 | -0.4 | -161.4 | 164.4 | 85.7 | 0 | 0 | 110.3 | ||||
| 224 | F | 36.3 | Very low | 46 | Very low | 149 Ų | 149 | 111.7 Ų | 111.7 | 65% | 0.654 | 68% | 0.679 | S | S | * | * | trans | -111.9 | 107.8 | 174.8 | -68 | -78 | 0 | 0 | 0 | 111.1 | Q237 | F224-Q237 VanDerWaalsContact CZ-OE1 3.25Š| ||
| 225 | H | 40.9 | Very low | 45.8 | Very low | 130 Ų | 130 | 111 Ų | 111 | 60% | 0.602 | 67% | 0.672 | S | S | * | * | trans | -158.3 | 126.5 | 158.1 | -125.8 | 92 | 0 | 0 | 0 | 110.9 | ||||
| 226 | D | 39.9 | Very low | 46.1 | Very low | 111 Ų | 111 | 106.4 Ų | 106.4 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | trans | 11.8 | 135.3 | 155.8 | -63.6 | -105.2 | 0 | 0 | 0 | 121.5 | ||||
| 227 | N | 39.2 | Very low | 46.9 | Very low | 138 Ų | 138 | 107.7 Ų | 107.7 | 74% | 0.738 | 66% | 0.659 | S | S | * | * | -152.2 | 104.6 | 99.5 | -171.6 | 16.4 | 0 | 0 | 0 | 112 | N229 | N227-N229 VanDerWaalsContact C-N 3.26Å; N227-N229 PolarHBondContact O-N 2.95Å; N227-N229 VanDerWaalsContact O-N 3.11Å; N227-N229 PolarHBondContact OD1-N 3.12Å | |||
| 228 | A | 38.9 | Very low | 48.2 | Very low | 100 Ų | 100 | 103 Ų | 103 | 83% | 0.826 | 65% | 0.645 | S | S | * | * | trans | -83 | 66.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 229 | N | 37.6 | Very low | 50.2 | Low | 127 Ų | 127 | 100.4 Ų | 100.4 | 68% | 0.679 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -149.3 | 110.7 | 169.1 | -164.5 | 9.1 | 0 | 0 | 0 | 113.3 | N227 G231 | N227-N229 VanDerWaalsContact C-N 3.26Å; N227-N229 PolarHBondContact O-N 2.95Å; N227-N229 VanDerWaalsContact O-N 3.11Å; N227-N229 PolarHBondContact OD1-N 3.12Å; N229-G231 PolarHBondContact O-N 3.11Å |
| 230 | G | 30 | Very low | 52.8 | Low | 83 Ų | 83 | 103.7 Ų | 103.7 | 86% | 0.856 | 61% | 0.612 | S | S | * | * | S | Bend | trans | 54.8 | 58.2 | 145.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||
| 231 | G | 29.6 | Very low | 55 | Low | 57 Ų | 57 | 97.6 Ų | 97.6 | 59% | 0.588 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 141.6 | 117.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | N229 N233 | N229-G231 PolarHBondContact O-N 3.11Å; G231-N233 PolarHBondContact O-N 3.38Å |
| 232 | Q | 39.8 | Very low | 57.2 | Low | 194 Ų | 194 | 93.3 Ų | 93.3 | 91% | 0.907 | 55% | 0.545 | S | S | * | . | S | Bend | trans | 45.4 | 51.8 | 155.6 | -56.2 | -175.5 | 11.4 | 0 | 0 | 117.6 | ||
| 233 | N | 47.1 | Very low | 59.1 | Low | 160 Ų | 160 | 91 Ų | 91 | 86% | 0.856 | 52% | 0.52 | S | S | * | . | trans | -141 | 115.1 | 164.3 | -88.1 | -65.8 | 0 | 0 | 0 | 111.5 | G231 | G231-N233 PolarHBondContact O-N 3.38Š| ||
| 234 | G | 60.5 | Low | 61.2 | Low | 28 Ų | 28 | 86.6 Ų | 86.6 | 29% | 0.289 | 52% | 0.519 | S | S | . | . | trans | -72.1 | 146.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G288 | G234-G288 CarbonylContact C-O 3.54Å; G234-G288 VanDerWaalsContact CA-O 3.27Å; G234-G288 WeakPolarHBondContact CA-O 3.35Å | ||
| 235 | T | 79.1 | Confident | 63.6 | Low | 61 Ų | 61 | 81 Ų | 81 | 37% | 0.374 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.5 | 141.9 | 168.2 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | I287 G288 P290 V293 | T235-I287 CarbonylContact O-C 3.28Å; T235-I287 VanDerWaalsContact O-CA 3.26Å; T235-I287 WeakPolarHBondContact O-CA 3.48Å; T235-G288 PolarHBondContact N-O 3.24Å; T235-G288 PolarHBondContact O-N 3.14Å; T235-G288 PolarHBondContact OG1-O 2.58Å; T235-P290 HydrophobicContact CG2-CB 3.93Å; T235-P290 HydrophobicContact CG2-CG 4.32Å; T235-P290 WeakPolarHBondContact OG1-CA 3.2Å; T235-V293 WeakPolarHBondContact OG1-CG2 3.3Å |
| 236 | V | 85.5 | Confident | 65.7 | Low | 54 Ų | 54 | 75 Ų | 75 | 33% | 0.327 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.5 | 178.6 | 179.3 | 0 | 0 | 0 | 0 | 108 | E238 R285 I286 I287 | V236-E238 HydrophobicContact CG1-CG 4.47Å; V236-R285 HydrophobicContact CG1-CG 3.6Å; V236-R285 VanDerWaalsContact CG1-NE 3.34Å; V236-I286 CarbonylContact C-O 3.35Å; V236-I286 WeakPolarHBondContact CA-O 3.36Å; V236-I287 HydrophobicContact CG1-CG1 4.49Å; V236-I287 HydrophobicContact CG2-CG1 4.22Å; V236-I287 HydrophobicContact CG2-CG2 4.16Å |
| 237 | Q | 87.2 | Confident | 67.9 | Low | 55 Ų | 55 | 72 Ų | 72 | 26% | 0.257 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 126.8 | 172.3 | -179.8 | 61.7 | 61.5 | 0 | 0 | 109 | F224 I239 I286 V293 | F224-Q237 VanDerWaalsContact CZ-OE1 3.25Å; Q237-I239 HydrophobicContact CG-CG2 4.23Å; Q237-I286 PolarHBondContact N-O 3.18Å; Q237-I286 PolarHBondContact O-N 3.22Å; Q237-V293 HydrophobicContact CB-CG1 3.33Å; Q237-V293 HydrophobicContact CG-CG1 4.33Å |
| 238 | E | 89.4 | Confident | 70.2 | Confident | 76 Ų | 76 | 67.2 Ų | 67.2 | 36% | 0.355 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 137.6 | 172.2 | -61.6 | -171 | 173 | 0 | 0 | 109.5 | V236 L284 R285 | V236-E238 HydrophobicContact CG1-CG 4.47Å; E238-L284 CarbonylContact C-O 3.26Å; E238-L284 WeakPolarHBondContact CA-O 3.2Å; E238-R285 HydrophobicContact CG-CB 3.94Å; E238-R285 HydrophobicContact CG-CG 3.89Å; E238-R285 WeakPolarHBondContact OE1-CD 3.46Å; E238-R285 IonicContact OE1-CZ 2.82Å; E238-R285 IonicContact OE1-NE 3.83Å; E238-R285 IonicContact OE1-NH1 2.68Å; E238-R285 PolarHBondContact OE1-NH1 3.44Å; E238-R285 VanDerWaalsContact OE1-NH1 3.11Å |
| 239 | I | 89 | Confident | 72.7 | Confident | 19 Ų | 19 | 62.6 Ų | 62.6 | 10% | 0.097 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 137.2 | 175.3 | 60.9 | 178.9 | 0 | 0 | 0 | 110.7 | Q237 L284 I286 V300 | Q237-I239 HydrophobicContact CG-CG2 4.23Å; I239-L284 HydrophobicContact CD1-CD2 4.27Å; I239-L284 HydrophobicContact CG1-CB 4Å; I239-L284 HydrophobicContact CG1-CD2 4.37Å; I239-L284 PolarHBondContact N-O 2.89Å; I239-L284 PolarHBondContact O-N 3.49Å; I239-I286 HydrophobicContact CD1-CD1 3.86Å; I239-I286 HydrophobicContact CG1-CD1 4.38Å; I239-V300 HydrophobicContact CD1-CB 3.77Å; I239-V300 HydrophobicContact CD1-CG1 3.55Å; I239-V300 HydrophobicContact CD1-CG2 4.41Å |
| 240 | M | 88.2 | Confident | 75.1 | Confident | 135 Ų | 135 | 58.6 Ų | 58.6 | 67% | 0.665 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 122.9 | 179.3 | -66.8 | 175.7 | 65.9 | 0 | 0 | 110.1 | D281 | M240-D281 HydrophobicContact CB-CB 4.19Å; M240-D281 HydrophobicContact CE-CB 3.8Å |
| 241 | I | 86.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 121.7 | 177.4 | -58.6 | -173.2 | 0 | 0 | 0 | 109.9 | A243 K245 A246 V249 L270 D281 K282 L284 V300 L304 | I241-A243 PolarHBondContact O-N 3.28Å; I241-K245 HydrophobicContact CG2-CB 4.36Å; I241-A246 HydrophobicContact CG2-CB 4.08Å; I241-V249 HydrophobicContact CD1-CB 4Å; I241-V249 HydrophobicContact CD1-CG1 3.87Å; I241-V249 HydrophobicContact CD1-CG2 4.02Å; I241-V249 HydrophobicContact CG2-CG2 4.44Å; I241-L270 HydrophobicContact CD1-CD1 4.31Å; I241-D281 CarbonylContact O-C 3.58Å; I241-D281 WeakPolarHBondContact O-CA 3.47Å; I241-K282 WeakPolarHBondContact CB-O 3.21Å; I241-K282 PolarHBondContact N-O 3.04Å; I241-K282 PolarHBondContact O-N 3.02Å; I241-L284 HydrophobicContact CD1-CB 3.46Å; I241-L284 VanDerWaalsContact CD1-CB 3.46Å; I241-L284 HydrophobicContact CD1-CD2 3.77Å; I241-L284 HydrophobicContact CD1-CG 4.1Å; I241-L284 HydrophobicContact CG1-CB 3.99Å; I241-V300 HydrophobicContact CD1-CG1 4.05Å; I241-L304 HydrophobicContact CG1-CD1 4.27Å; I241-L304 HydrophobicContact CG2-CD1 4.43Å; I241-L304 HydrophobicContact CG2-CD2 3.76Å |
| 242 | P | 85.3 | Confident | 80.3 | Confident | 45 Ų | 45 | 61.7 Ų | 61.7 | 29% | 0.292 | 36% | 0.355 | S | S | . | . | trans | -51.5 | 136.6 | 176.4 | -29.5 | 36.1 | 0 | 0 | 0 | 113 | G244 K245 A246 D281 | P242-G244 VanDerWaalsContact C-N 3.31Å; P242-G244 PolarHBondContact O-N 3.37Å; P242-K245 HydrophobicContact CB-CB 4.19Å; P242-K245 HydrophobicContact CB-CD 4.28Å; P242-K245 HydrophobicContact CB-CG 4.18Å; P242-K245 HydrophobicContact CG-CD 4.26Å; P242-K245 CarbonylContact O-C 3.5Å; P242-K245 WeakPolarHBondContact O-CA 3.45Å; P242-K245 PolarHBondContact O-N 3.11Å; P242-A246 PolarHBondContact O-N 3.46Å; P242-D281 WeakPolarHBondContact CA-OD1 3.25Å | ||
| 243 | A | 75.8 | Confident | 82.4 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 17% | 0.165 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -51.7 | -46.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I241 K245 A246 T278 V280 | I241-A243 PolarHBondContact O-N 3.28Å; A243-K245 VanDerWaalsContact C-N 3.27Å; A243-K245 PolarHBondContact O-N 3.24Å; A243-A246 PolarHBondContact O-N 3.45Å; A243-T278 WeakPolarHBondContact CB-O 3.47Å; A243-V280 WeakPolarHBondContact CB-O 3.19Å |
| 244 | G | 80 | Confident | 84.2 | Confident | 76 Ų | 76 | 50.2 Ų | 50.2 | 78% | 0.784 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -70.2 | -16.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | P242 | P242-G244 VanDerWaalsContact C-N 3.31Å; P242-G244 PolarHBondContact O-N 3.37Å |
| 245 | K | 85.8 | Confident | 85.6 | Confident | 32 Ų | 32 | 53.3 Ų | 53.3 | 14% | 0.139 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -98.7 | -13.7 | 177.1 | -62.1 | -171.3 | -176.5 | 176.5 | 0 | 113.7 | I241 P242 A243 G247 L248 V249 L304 D308 | I241-K245 HydrophobicContact CG2-CB 4.36Å; P242-K245 HydrophobicContact CB-CB 4.19Å; P242-K245 HydrophobicContact CB-CD 4.28Å; P242-K245 HydrophobicContact CB-CG 4.18Å; P242-K245 HydrophobicContact CG-CD 4.26Å; P242-K245 CarbonylContact O-C 3.5Å; P242-K245 WeakPolarHBondContact O-CA 3.45Å; P242-K245 PolarHBondContact O-N 3.11Å; A243-K245 VanDerWaalsContact C-N 3.27Å; A243-K245 PolarHBondContact O-N 3.24Å; K245-G247 VanDerWaalsContact C-N 3.26Å; K245-G247 PolarHBondContact O-N 3.38Å; K245-L248 HydrophobicContact CB-CD1 3.85Å; K245-L248 HydrophobicContact CG-CD1 3.87Å; K245-L248 WeakPolarHBondContact O-CA 3.2Å; K245-L248 WeakPolarHBondContact O-CB 3.22Å; K245-L248 WeakPolarHBondContact O-CG 3.37Å; K245-L248 PolarHBondContact O-N 3.37Å; K245-V249 PolarHBondContact O-N 3.43Å; K245-L304 HydrophobicContact CB-CD2 3.55Å; K245-L304 HydrophobicContact CD-CB 4.45Å; K245-L304 HydrophobicContact CD-CD2 3.91Å; K245-L304 HydrophobicContact CG-CD2 4.38Å; K245-L304 PolarHBondContact NZ-O 3.25Å; K245-D308 WeakPolarHBondContact CE-OD1 3.29Å; K245-D308 IonicContact NZ-OD1 3.88Å; K245-D308 PolarHBondContact NZ-OD1 3.46Å; K245-D308 IonicContact NZ-OD2 2.78Å; K245-D308 PolarHBondContact NZ-OD2 2.99Å |
| 246 | A | 85.9 | Confident | 86.2 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 3% | 0.025 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.3 | -41.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I241 P242 A243 L248 V249 I250 L270 K282 | I241-A246 HydrophobicContact CG2-CB 4.08Å; P242-A246 PolarHBondContact O-N 3.46Å; A243-A246 PolarHBondContact O-N 3.45Å; A246-L248 PolarHBondContact O-N 2.87Å; A246-V249 PolarHBondContact O-N 2.9Å; A246-I250 VanDerWaalsContact O-CG1 3.24Å; A246-I250 WeakPolarHBondContact O-CG1 3.47Å; A246-I250 PolarHBondContact O-N 2.81Å; A246-L270 HydrophobicContact CB-CD2 4.36Å; A246-K282 HydrophobicContact CB-CD 4Å |
| 247 | G | 86 | Confident | 86.4 | Confident | 48 Ų | 48 | 50.5 Ų | 50.5 | 50% | 0.495 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.9 | -24 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | K245 G251 | K245-G247 VanDerWaalsContact C-N 3.26Å; K245-G247 PolarHBondContact O-N 3.38Å; G247-G251 PolarHBondContact O-N 3.44Å |
| 248 | L | 87.6 | Confident | 86.7 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 20% | 0.204 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.5 | -38.8 | 177 | -51.8 | 173 | 0 | 0 | 0 | 111.4 | K245 A246 I303 R307 | K245-L248 HydrophobicContact CB-CD1 3.85Å; K245-L248 HydrophobicContact CG-CD1 3.87Å; K245-L248 WeakPolarHBondContact O-CA 3.2Å; K245-L248 WeakPolarHBondContact O-CB 3.22Å; K245-L248 WeakPolarHBondContact O-CG 3.37Å; K245-L248 PolarHBondContact O-N 3.37Å; A246-L248 PolarHBondContact O-N 2.87Å; L248-I303 HydrophobicContact CB-CG2 4.2Å; L248-R307 HydrophobicContact CD1-CB 4.01Å |
| 249 | V | 89.8 | Confident | 86.8 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -81.1 | -36.5 | -179.2 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | I241 K245 A246 I257 L260 L284 V300 I303 L304 | I241-V249 HydrophobicContact CD1-CB 4Å; I241-V249 HydrophobicContact CD1-CG1 3.87Å; I241-V249 HydrophobicContact CD1-CG2 4.02Å; I241-V249 HydrophobicContact CG2-CG2 4.44Å; K245-V249 PolarHBondContact O-N 3.43Å; A246-V249 PolarHBondContact O-N 2.9Å; V249-I257 WeakPolarHBondContact O-CA 3.48Å; V249-I257 WeakPolarHBondContact O-CB 3.18Å; V249-I257 PolarHBondContact O-N 3.44Å; V249-I257 VanDerWaalsContact O-N 3.07Å; V249-L260 HydrophobicContact CG1-CD1 4.14Å; V249-L284 HydrophobicContact CG1-CD2 4.11Å; V249-V300 HydrophobicContact CG1-CG1 3.82Å; V249-V300 HydrophobicContact CG1-CG2 4.13Å; V249-V300 HydrophobicContact CG2-CG1 3.95Å; V249-I303 HydrophobicContact CG2-CG2 3.97Å; V249-L304 HydrophobicContact CG2-CD2 3.71Å; V249-L304 HydrophobicContact CG2-CG 4.21Å |
| 250 | I | 87.8 | Confident | 86.9 | Confident | 44 Ų | 44 | 53 Ų | 53 | 23% | 0.226 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.3 | -47.2 | 171.7 | -57.5 | 162.7 | 0 | 0 | 0 | 110.5 | A246 G254 T256 I257 L270 | A246-I250 VanDerWaalsContact O-CG1 3.24Å; A246-I250 WeakPolarHBondContact O-CG1 3.47Å; A246-I250 PolarHBondContact O-N 2.81Å; I250-G254 CarbonylContact O-C 3.58Å; I250-G254 VanDerWaalsContact O-C 3.23Å; I250-G254 VanDerWaalsContact O-CA 3.28Å; I250-G254 WeakPolarHBondContact O-CA 3.33Å; I250-T256 PolarHBondContact O-N 2.98Å; I250-T256 VanDerWaalsContact O-N 3.13Å; I250-I257 HydrophobicContact CG2-CG2 4.24Å; I250-I257 PolarHBondContact O-N 2.83Å; I250-L270 HydrophobicContact CD1-CD2 3.46Å; I250-L270 VanDerWaalsContact CD1-CD2 3.46Å; I250-L270 HydrophobicContact CG1-CD2 3.77Å |
| 251 | G | 85.4 | Confident | 87 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | trans | 75.2 | 171.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G247 G253 G254 T256 | G247-G251 PolarHBondContact O-N 3.44Å; G251-G253 PolarHBondContact O-N 3.1Å; G251-G254 PolarHBondContact O-N 3.37Å; G251-T256 WeakPolarHBondContact CA-OG1 3.26Å | ||
| 252 | K | 85.2 | Confident | 87.3 | Confident | 187 Ų | 187 | 56 Ų | 56 | 81% | 0.813 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -63.1 | 128 | 174.9 | -64.5 | 179.4 | -179 | 178.2 | 0 | 108.7 | G254 E255 | K252-G254 PolarHBondContact O-N 3.28Å; K252-G254 VanDerWaalsContact O-N 3.13Å; K252-E255 WeakPolarHBondContact O-CB 3.34Å; K252-E255 PolarHBondContact O-N 3.17Å; K252-E255 VanDerWaalsContact O-N 3.14Å |
| 253 | G | 83.2 | Confident | 87.6 | Confident | 94 Ų | 94 | 62.9 Ų | 62.9 | 97% | 0.969 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | 63.1 | 14.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116 | G251 E255 | G251-G253 PolarHBondContact O-N 3.1Å; G253-E255 VanDerWaalsContact C-N 3.32Å |
| 254 | G | 85.7 | Confident | 88.3 | Confident | 20 Ų | 20 | 62.1 Ų | 62.1 | 21% | 0.206 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | 78.6 | 12 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | I250 G251 K252 I257 K258 | I250-G254 CarbonylContact O-C 3.58Å; I250-G254 VanDerWaalsContact O-C 3.23Å; I250-G254 VanDerWaalsContact O-CA 3.28Å; I250-G254 WeakPolarHBondContact O-CA 3.33Å; G251-G254 PolarHBondContact O-N 3.37Å; K252-G254 PolarHBondContact O-N 3.28Å; K252-G254 VanDerWaalsContact O-N 3.13Å; G254-I257 VanDerWaalsContact O-CG2 3.25Å; G254-I257 WeakPolarHBondContact O-CG2 3.28Å; G254-K258 VanDerWaalsContact O-CB 3.27Å; G254-K258 WeakPolarHBondContact O-CB 3.46Å; G254-K258 PolarHBondContact O-N 3Å |
| 255 | E | 89.5 | Confident | 88.8 | Confident | 92 Ų | 92 | 60.5 Ų | 60.5 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | -176.3 | -164.1 | -168.7 | 159.4 | 0 | 0 | 112.4 | K252 G253 K258 Q259 | K252-E255 WeakPolarHBondContact O-CB 3.34Å; K252-E255 PolarHBondContact O-N 3.17Å; K252-E255 VanDerWaalsContact O-N 3.14Å; G253-E255 VanDerWaalsContact C-N 3.32Å; E255-K258 PolarHBondContact O-N 2.83Å; E255-Q259 VanDerWaalsContact O-CG 3.29Å; E255-Q259 WeakPolarHBondContact O-CG 3.5Å; E255-Q259 PolarHBondContact O-N 3.23Å; E255-Q259 PolarHBondContact OE1-NE2 3.38Å |
| 256 | T | 90.3 | Very high | 89.2 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 23% | 0.233 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.2 | -44.6 | -177.2 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | I250 G251 K258 Q259 L260 I303 | I250-T256 PolarHBondContact O-N 2.98Å; I250-T256 VanDerWaalsContact O-N 3.13Å; G251-T256 WeakPolarHBondContact CA-OG1 3.26Å; T256-K258 VanDerWaalsContact C-N 3.26Å; T256-K258 PolarHBondContact O-N 3.12Å; T256-Q259 PolarHBondContact O-N 2.9Å; T256-L260 HydrophobicContact CG2-CD1 4.1Å; T256-L260 WeakPolarHBondContact O-CB 3.32Å; T256-L260 VanDerWaalsContact O-CG 3.3Å; T256-L260 WeakPolarHBondContact O-CG 3.49Å; T256-L260 PolarHBondContact O-N 2.88Å; T256-I303 HydrophobicContact CG2-CD1 4.32Å |
| 257 | I | 91.5 | Very high | 89.5 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 9% | 0.092 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.2 | -31.6 | 174.7 | -171 | 174.5 | 0 | 0 | 0 | 111.4 | V249 I250 G254 Q261 M268 L284 | V249-I257 WeakPolarHBondContact O-CA 3.48Å; V249-I257 WeakPolarHBondContact O-CB 3.18Å; V249-I257 PolarHBondContact O-N 3.44Å; V249-I257 VanDerWaalsContact O-N 3.07Å; I250-I257 HydrophobicContact CG2-CG2 4.24Å; I250-I257 PolarHBondContact O-N 2.83Å; G254-I257 VanDerWaalsContact O-CG2 3.25Å; G254-I257 WeakPolarHBondContact O-CG2 3.28Å; I257-Q261 WeakPolarHBondContact O-CB 3.27Å; I257-Q261 WeakPolarHBondContact O-CG 3.47Å; I257-Q261 PolarHBondContact O-N 2.74Å; I257-Q261 PolarHBondContact O-NE2 3.2Å; I257-M268 HydrophobicContact CD1-CB 3.89Å; I257-M268 HydrophobicContact CG1-CB 3.77Å; I257-M268 HydrophobicContact CG1-SD 4.14Å; I257-L284 HydrophobicContact CD1-CD1 3.7Å |
| 258 | K | 91.7 | Very high | 89.8 | Confident | 141 Ų | 141 | 63.6 Ų | 63.6 | 61% | 0.613 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -69.1 | -43.7 | 174 | -172.3 | -179 | 177.5 | -172.9 | 0 | 112 | G254 E255 T256 Q261 E262 | G254-K258 VanDerWaalsContact O-CB 3.27Å; G254-K258 WeakPolarHBondContact O-CB 3.46Å; G254-K258 PolarHBondContact O-N 3Å; E255-K258 PolarHBondContact O-N 2.83Å; T256-K258 VanDerWaalsContact C-N 3.26Å; T256-K258 PolarHBondContact O-N 3.12Å; K258-Q261 WeakPolarHBondContact O-CB 3.41Å; K258-Q261 PolarHBondContact O-N 3.49Å; K258-E262 WeakPolarHBondContact O-CB 3.42Å; K258-E262 PolarHBondContact O-N 2.9Å |
| 259 | Q | 91.7 | Very high | 89.9 | Confident | 48 Ų | 48 | 65 Ų | 65 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.9 | -39 | 175.5 | -72.3 | 167.8 | 1.9 | 0 | 0 | 112.3 | E255 T256 E262 R263 Y318 | E255-Q259 VanDerWaalsContact O-CG 3.29Å; E255-Q259 WeakPolarHBondContact O-CG 3.5Å; E255-Q259 PolarHBondContact O-N 3.23Å; E255-Q259 PolarHBondContact OE1-NE2 3.38Å; T256-Q259 PolarHBondContact O-N 2.9Å; Q259-E262 PolarHBondContact O-N 2.89Å; Q259-R263 WeakPolarHBondContact O-CB 3.37Å; Q259-R263 PolarHBondContact O-N 3.06Å; Q259-Y318 VanDerWaalsContact CD-CE1 3.46Å |
| 260 | L | 92.1 | Very high | 89.8 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 7% | 0.068 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 174.9 | -75.8 | 165.4 | 0 | 0 | 0 | 111.9 | V249 T256 A264 M268 M299 V300 I303 | V249-L260 HydrophobicContact CG1-CD1 4.14Å; T256-L260 HydrophobicContact CG2-CD1 4.1Å; T256-L260 WeakPolarHBondContact O-CB 3.32Å; T256-L260 VanDerWaalsContact O-CG 3.3Å; T256-L260 WeakPolarHBondContact O-CG 3.49Å; T256-L260 PolarHBondContact O-N 2.88Å; L260-A264 WeakPolarHBondContact O-CB 3.41Å; L260-A264 PolarHBondContact O-N 3.25Å; L260-M268 HydrophobicContact CB-CE 3.72Å; L260-M268 HydrophobicContact CB-SD 3.75Å; L260-M299 HydrophobicContact CD2-CB 3.83Å; L260-M299 HydrophobicContact CD2-CE 4.42Å; L260-V300 HydrophobicContact CD1-CG2 4.19Å; L260-I303 HydrophobicContact CD1-CD1 3.73Å; L260-I303 HydrophobicContact CD2-CD1 3.95Å; L260-I303 HydrophobicContact CG-CD1 4.27Å |
| 261 | Q | 91 | Very high | 89.6 | Confident | 46 Ų | 46 | 66 Ų | 66 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.9 | -51.4 | 172.8 | -80 | 173.9 | 96.1 | 0 | 0 | 112 | I257 K258 G265 V266 M268 | I257-Q261 WeakPolarHBondContact O-CB 3.27Å; I257-Q261 WeakPolarHBondContact O-CG 3.47Å; I257-Q261 PolarHBondContact O-N 2.74Å; I257-Q261 PolarHBondContact O-NE2 3.2Å; K258-Q261 WeakPolarHBondContact O-CB 3.41Å; K258-Q261 PolarHBondContact O-N 3.49Å; Q261-G265 WeakPolarHBondContact O-CA 3.46Å; Q261-G265 PolarHBondContact O-N 3.02Å; Q261-V266 CarbonylContact C-O 3.58Å; Q261-V266 WeakPolarHBondContact CA-O 3.45Å; Q261-V266 WeakPolarHBondContact CB-O 3.37Å; Q261-V266 VanDerWaalsContact CG-O 3.3Å; Q261-V266 WeakPolarHBondContact CG-O 3.35Å; Q261-V266 PolarHBondContact O-N 3.28Å; Q261-M268 HydrophobicContact CG-CB 3.49Å; Q261-M268 VanDerWaalsContact CG-CB 3.49Å; Q261-M268 HydrophobicContact CG-CG 3.47Å; Q261-M268 VanDerWaalsContact CG-CG 3.47Å; Q261-M268 VanDerWaalsContact CG-N 3.3Å; Q261-M268 HydrophobicContact CG-SD 3.95Å; Q261-M268 PolarHBondContact OE1-O 2.95Å |
| 262 | E | 91.6 | Very high | 88.7 | Confident | 152 Ų | 152 | 71.5 Ų | 71.5 | 71% | 0.71 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.8 | -43.8 | -179.4 | -173.1 | 171.2 | -175.5 | 0 | 0 | 112 | K258 Q259 G265 | K258-E262 WeakPolarHBondContact O-CB 3.42Å; K258-E262 PolarHBondContact O-N 2.9Å; Q259-E262 PolarHBondContact O-N 2.89Å; E262-G265 PolarHBondContact O-N 3.2Å |
| 263 | R | 91.5 | Very high | 87.5 | Confident | 191 Ų | 191 | 68.8 Ų | 68.8 | 72% | 0.721 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -68.7 | -39.4 | -178 | -178.3 | 177.1 | 172.6 | 120.2 | -0.9 | 113.6 | Q259 M299 | Q259-R263 WeakPolarHBondContact O-CB 3.37Å; Q259-R263 PolarHBondContact O-N 3.06Å; R263-M299 HydrophobicContact CG-CE 4.32Å; R263-M299 HydrophobicContact CG-SD 4.09Å |
| 264 | A | 90.6 | Very high | 86 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 3% | 0.033 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -82.7 | -19.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | L260 V266 K292 A296 M299 | L260-A264 WeakPolarHBondContact O-CB 3.41Å; L260-A264 PolarHBondContact O-N 3.25Å; A264-V266 HydrophobicContact CB-CG1 4.11Å; A264-V266 HydrophobicContact CB-CG2 3.82Å; A264-K292 VanDerWaalsContact O-CB 3.32Å; A264-K292 WeakPolarHBondContact O-CB 3.42Å; A264-K292 VanDerWaalsContact O-CD 3.26Å; A264-K292 WeakPolarHBondContact O-CD 3.18Å; A264-K292 VanDerWaalsContact O-CG 3.29Å; A264-K292 WeakPolarHBondContact O-CG 3.46Å; A264-A296 HydrophobicContact CB-CB 3.71Å; A264-M299 HydrophobicContact CB-CE 3.58Å |
| 265 | G | 90.9 | Very high | 84.3 | Confident | 42 Ų | 42 | 72.1 Ų | 72.1 | 43% | 0.433 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 41.3 | -170 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q261 E262 | Q261-G265 WeakPolarHBondContact O-CA 3.46Å; Q261-G265 PolarHBondContact O-N 3.02Å; E262-G265 PolarHBondContact O-N 3.2Å |
| 266 | V | 94.1 | Very high | 82.4 | Confident | 13 Ų | 13 | 74.5 Ų | 74.5 | 8% | 0.079 | 39% | 0.39 | C | S | . | . | trans | -128.5 | 162.5 | 178.6 | -57 | 0 | 0 | 0 | 0 | 110.6 | Q261 A264 M268 I286 I287 K292 V293 A296 | Q261-V266 CarbonylContact C-O 3.58Å; Q261-V266 WeakPolarHBondContact CA-O 3.45Å; Q261-V266 WeakPolarHBondContact CB-O 3.37Å; Q261-V266 VanDerWaalsContact CG-O 3.3Å; Q261-V266 WeakPolarHBondContact CG-O 3.35Å; Q261-V266 PolarHBondContact O-N 3.28Å; A264-V266 HydrophobicContact CB-CG1 4.11Å; A264-V266 HydrophobicContact CB-CG2 3.82Å; V266-M268 HydrophobicContact CG2-CE 3.49Å; V266-M268 VanDerWaalsContact CG2-CE 3.49Å; V266-M268 HydrophobicContact CG2-CG 4.06Å; V266-I286 HydrophobicContact CB-CG2 4.1Å; V266-I286 HydrophobicContact CG1-CG2 4.47Å; V266-I286 HydrophobicContact CG2-CG2 3.71Å; V266-I287 WeakPolarHBondContact CB-O 3.13Å; V266-K292 HydrophobicContact CG1-CB 3.58Å; V266-V293 HydrophobicContact CG1-CG2 3.95Å; V266-A296 HydrophobicContact CG1-CB 4.34Å; V266-A296 HydrophobicContact CG2-CB 3.73Å | ||
| 267 | K | 92.4 | Very high | 80.6 | Confident | 126 Ų | 126 | 78.2 Ų | 78.2 | 55% | 0.548 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134.4 | 169.1 | -177.9 | 179.2 | -174.2 | -179.4 | 0 | 109.4 | I269 I286 I287 | K267-I269 HydrophobicContact CG-CG1 4.4Å; K267-I286 CarbonylContact O-C 3.58Å; K267-I286 WeakPolarHBondContact O-CA 3.35Å; K267-I287 HydrophobicContact CB-CB 4.31Å; K267-I287 PolarHBondContact N-O 2.99Å; K267-I287 PolarHBondContact O-N 2.91Å |
| 268 | M | 91.8 | Very high | 79 | Confident | 8 Ų | 8 | 83.6 Ų | 83.6 | 4% | 0.039 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 131.1 | 179.8 | -62.9 | 176.9 | -172.4 | 0 | 0 | 109.5 | I257 L260 Q261 V266 L284 R285 I286 A296 V300 | I257-M268 HydrophobicContact CD1-CB 3.89Å; I257-M268 HydrophobicContact CG1-CB 3.77Å; I257-M268 HydrophobicContact CG1-SD 4.14Å; L260-M268 HydrophobicContact CB-CE 3.72Å; L260-M268 HydrophobicContact CB-SD 3.75Å; Q261-M268 HydrophobicContact CG-CB 3.49Å; Q261-M268 VanDerWaalsContact CG-CB 3.49Å; Q261-M268 HydrophobicContact CG-CG 3.47Å; Q261-M268 VanDerWaalsContact CG-CG 3.47Å; Q261-M268 VanDerWaalsContact CG-N 3.3Å; Q261-M268 HydrophobicContact CG-SD 3.95Å; Q261-M268 PolarHBondContact OE1-O 2.95Å; V266-M268 HydrophobicContact CG2-CE 3.49Å; V266-M268 VanDerWaalsContact CG2-CE 3.49Å; V266-M268 HydrophobicContact CG2-CG 4.06Å; M268-L284 HydrophobicContact CB-CD1 4.26Å; M268-L284 HydrophobicContact SD-CD2 4.45Å; M268-R285 CarbonylContact C-O 3.48Å; M268-R285 WeakPolarHBondContact CA-O 3.3Å; M268-I286 HydrophobicContact CE-CG2 4.42Å; M268-I286 HydrophobicContact CG-CG1 4.27Å; M268-I286 HydrophobicContact CG-CG2 4.23Å; M268-A296 HydrophobicContact CE-CB 3.62Å; M268-V300 HydrophobicContact SD-CG2 4.47Å |
| 269 | I | 90.1 | Very high | 77.7 | Confident | 70 Ų | 70 | 83.8 Ų | 83.8 | 36% | 0.359 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 111.8 | -178.5 | -52.8 | 177.1 | 0 | 0 | 0 | 107 | K267 I271 R285 I287 | K267-I269 HydrophobicContact CG-CG1 4.4Å; I269-I271 PolarHBondContact O-N 3.45Å; I269-R285 HydrophobicContact CB-CB 4.47Å; I269-R285 PolarHBondContact N-O 3.31Å; I269-R285 PolarHBondContact O-N 3.43Å; I269-I287 HydrophobicContact CD1-CD1 3.93Å |
| 270 | L | 87.3 | Confident | 76.6 | Confident | 24 Ų | 24 | 85.2 Ų | 85.2 | 13% | 0.126 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 114 | 169.9 | -172.8 | 74.1 | 0 | 0 | 0 | 108.1 | I241 A246 I250 Q272 K282 L284 | I241-L270 HydrophobicContact CD1-CD1 4.31Å; A246-L270 HydrophobicContact CB-CD2 4.36Å; I250-L270 HydrophobicContact CD1-CD2 3.46Å; I250-L270 VanDerWaalsContact CD1-CD2 3.46Å; I250-L270 HydrophobicContact CG1-CD2 3.77Å; L270-Q272 HydrophobicContact CD2-CG 4.37Å; L270-Q272 PolarHBondContact O-N 3.38Å; L270-K282 HydrophobicContact CD1-CB 3.91Å; L270-K282 HydrophobicContact CD2-CD 4.26Å; L270-K282 HydrophobicContact CG-CB 4.41Å; L270-L284 HydrophobicContact CB-CD1 3.92Å; L270-L284 HydrophobicContact CD1-CB 3.97Å; L270-L284 HydrophobicContact CD1-CD1 4.03Å |
| 271 | I | 83.3 | Confident | 76.1 | Confident | 42 Ų | 42 | 87.8 Ų | 87.8 | 22% | 0.215 | 48% | 0.476 | C | S | . | . | trans | -73.5 | 119.7 | 175.9 | -60.3 | 173.7 | 0 | 0 | 0 | 107.1 | I269 D273 P283 R285 | I269-I271 PolarHBondContact O-N 3.45Å; I271-D273 WeakPolarHBondContact CG2-OD1 3.29Å; I271-D273 WeakPolarHBondContact CG2-OD2 3.24Å; I271-P283 HydrophobicContact CB-CB 4.49Å; I271-P283 HydrophobicContact CB-CG 4.05Å; I271-P283 WeakPolarHBondContact CB-O 3.47Å; I271-P283 HydrophobicContact CD1-CB 4.48Å; I271-P283 HydrophobicContact CG2-CG 4.36Å; I271-P283 PolarHBondContact N-O 2.82Å; I271-R285 HydrophobicContact CD1-CB 4.31Å | ||
| 272 | Q | 68.1 | Low | 75.8 | Confident | 133 Ų | 133 | 89 Ų | 89 | 62% | 0.621 | 48% | 0.48 | S | S | * | . | trans | -112.5 | 80 | 173.6 | -62 | -170.4 | 38.5 | 0 | 0 | 107.5 | L270 G274 | L270-Q272 HydrophobicContact CD2-CG 4.37Å; L270-Q272 PolarHBondContact O-N 3.38Å; Q272-G274 PolarHBondContact O-N 2.94Å; Q272-G274 VanDerWaalsContact O-N 3.12Å | ||
| 273 | D | 59.8 | Low | 75.6 | Confident | 130 Ų | 130 | 83.4 Ų | 83.4 | 70% | 0.695 | 46% | 0.457 | S | S | * | . | trans | -63.1 | 115.6 | 172.7 | -67.7 | -42.4 | 0 | 0 | 0 | 108.6 | I271 | I271-D273 WeakPolarHBondContact CG2-OD1 3.29Å; I271-D273 WeakPolarHBondContact CG2-OD2 3.24Å | ||
| 274 | G | 50.2 | Low | 75.6 | Confident | 65 Ų | 65 | 74.3 Ų | 74.3 | 67% | 0.67 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 145.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q272 | Q272-G274 PolarHBondContact O-N 2.94Å; Q272-G274 VanDerWaalsContact O-N 3.12Å |
| 275 | S | 50.2 | Low | 75.7 | Confident | 118 Ų | 118 | 78 Ų | 78 | 83% | 0.825 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | -7.1 | 164 | 80.5 | 0 | 0 | 0 | 0 | 121.1 | ||
| 276 | Q | 50.7 | Low | 75.8 | Confident | 143 Ų | 143 | 76 Ų | 76 | 67% | 0.668 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -119.2 | 114 | -176 | -70.5 | -74.6 | -23.8 | 0 | 0 | 114.2 | ||
| 277 | N | 51.5 | Low | 75.6 | Confident | 116 Ų | 116 | 77.2 Ų | 77.2 | 62% | 0.62 | 42% | 0.421 | S | S | * | . | trans | 46.4 | 118.7 | 159.8 | -67 | -11.2 | 0 | 0 | 0 | 119.8 | N279 V280 | N277-N279 PolarHBondContact O-N 3.17Å; N277-V280 HydrophobicContact CB-CG2 3.77Å; N277-V280 PolarHBondContact O-N 2.77Å; N277-V280 VanDerWaalsContact O-N 3.16Å | ||
| 278 | T | 59.6 | Low | 75.5 | Confident | 130 Ų | 130 | 71.8 Ų | 71.8 | 80% | 0.798 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 3.1 | 174.8 | 46.6 | 0 | 0 | 0 | 0 | 116.2 | A243 | A243-T278 WeakPolarHBondContact CB-O 3.47Š|
| 279 | N | 62.9 | Low | 75.4 | Confident | 145 Ų | 145 | 75.3 Ų | 75.3 | 78% | 0.775 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | 4.6 | 178.4 | -77.1 | -43.1 | 0 | 0 | 0 | 113.7 | N277 | N277-N279 PolarHBondContact O-N 3.17Š|
| 280 | V | 69.1 | Low | 75.3 | Confident | 78 Ų | 78 | 76.1 Ų | 76.1 | 47% | 0.473 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -92.2 | 134.4 | -179.5 | -176.4 | 0 | 0 | 0 | 0 | 111 | A243 N277 K282 | A243-V280 WeakPolarHBondContact CB-O 3.19Å; N277-V280 HydrophobicContact CB-CG2 3.77Å; N277-V280 PolarHBondContact O-N 2.77Å; N277-V280 VanDerWaalsContact O-N 3.16Å; V280-K282 PolarHBondContact O-N 2.74Å |
| 281 | D | 80.8 | Confident | 75.4 | Confident | 68 Ų | 68 | 83.3 Ų | 83.3 | 36% | 0.364 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 130.5 | 175.9 | -65.7 | -5.7 | 0 | 0 | 0 | 111 | M240 I241 P242 | M240-D281 HydrophobicContact CB-CB 4.19Å; M240-D281 HydrophobicContact CE-CB 3.8Å; I241-D281 CarbonylContact O-C 3.58Å; I241-D281 WeakPolarHBondContact O-CA 3.47Å; P242-D281 WeakPolarHBondContact CA-OD1 3.25Å |
| 282 | K | 84.6 | Confident | 75.9 | Confident | 70 Ų | 70 | 84.9 Ų | 84.9 | 30% | 0.304 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 125.3 | -177.4 | -60.9 | -169.6 | 178.6 | -171.7 | 0 | 110.1 | I241 A246 L270 V280 L284 | I241-K282 WeakPolarHBondContact CB-O 3.21Å; I241-K282 PolarHBondContact N-O 3.04Å; I241-K282 PolarHBondContact O-N 3.02Å; A246-K282 HydrophobicContact CB-CD 4Å; L270-K282 HydrophobicContact CD1-CB 3.91Å; L270-K282 HydrophobicContact CD2-CD 4.26Å; L270-K282 HydrophobicContact CG-CB 4.41Å; V280-K282 PolarHBondContact O-N 2.74Å; K282-L284 PolarHBondContact O-N 3.41Å |
| 283 | P | 88 | Confident | 77.1 | Confident | 36 Ų | 36 | 78.8 Ų | 78.8 | 23% | 0.234 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 122.5 | 177 | 12.3 | -8.3 | 0 | 0 | 0 | 111.2 | I271 | I271-P283 HydrophobicContact CB-CB 4.49Å; I271-P283 HydrophobicContact CB-CG 4.05Å; I271-P283 WeakPolarHBondContact CB-O 3.47Å; I271-P283 HydrophobicContact CD1-CB 4.48Å; I271-P283 HydrophobicContact CG2-CG 4.36Å; I271-P283 PolarHBondContact N-O 2.82Å |
| 284 | L | 92 | Very high | 78.6 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 119.3 | 166.9 | -178.4 | 75.7 | 0 | 0 | 0 | 109.5 | E238 I239 I241 V249 I257 M268 L270 K282 I286 V300 | E238-L284 CarbonylContact C-O 3.26Å; E238-L284 WeakPolarHBondContact CA-O 3.2Å; I239-L284 HydrophobicContact CD1-CD2 4.27Å; I239-L284 HydrophobicContact CG1-CB 4Å; I239-L284 HydrophobicContact CG1-CD2 4.37Å; I239-L284 PolarHBondContact N-O 2.89Å; I239-L284 PolarHBondContact O-N 3.49Å; I241-L284 HydrophobicContact CD1-CB 3.46Å; I241-L284 VanDerWaalsContact CD1-CB 3.46Å; I241-L284 HydrophobicContact CD1-CD2 3.77Å; I241-L284 HydrophobicContact CD1-CG 4.1Å; I241-L284 HydrophobicContact CG1-CB 3.99Å; V249-L284 HydrophobicContact CG1-CD2 4.11Å; I257-L284 HydrophobicContact CD1-CD1 3.7Å; M268-L284 HydrophobicContact CB-CD1 4.26Å; M268-L284 HydrophobicContact SD-CD2 4.45Å; L270-L284 HydrophobicContact CB-CD1 3.92Å; L270-L284 HydrophobicContact CD1-CB 3.97Å; L270-L284 HydrophobicContact CD1-CD1 4.03Å; K282-L284 PolarHBondContact O-N 3.41Å; L284-I286 HydrophobicContact CD2-CD1 4.29Å; L284-I286 HydrophobicContact CD2-CG1 4.14Å; L284-I286 HydrophobicContact CG-CG1 4.28Å; L284-V300 HydrophobicContact CD2-CG1 4.13Å; L284-V300 HydrophobicContact CD2-CG2 3.9Å |
| 285 | R | 92.1 | Very high | 80.6 | Confident | 82 Ų | 82 | 80 Ų | 80 | 31% | 0.309 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117 | 177.4 | -176.3 | -179.4 | 176.8 | 131.5 | -7.7 | 110.6 | V236 E238 M268 I269 I271 I287 | V236-R285 HydrophobicContact CG1-CG 3.6Å; V236-R285 VanDerWaalsContact CG1-NE 3.34Å; E238-R285 HydrophobicContact CG-CB 3.94Å; E238-R285 HydrophobicContact CG-CG 3.89Å; E238-R285 WeakPolarHBondContact OE1-CD 3.46Å; E238-R285 IonicContact OE1-CZ 2.82Å; E238-R285 IonicContact OE1-NE 3.83Å; E238-R285 IonicContact OE1-NH1 2.68Å; E238-R285 PolarHBondContact OE1-NH1 3.44Å; E238-R285 VanDerWaalsContact OE1-NH1 3.11Å; M268-R285 CarbonylContact C-O 3.48Å; M268-R285 WeakPolarHBondContact CA-O 3.3Å; I269-R285 HydrophobicContact CB-CB 4.47Å; I269-R285 PolarHBondContact N-O 3.31Å; I269-R285 PolarHBondContact O-N 3.43Å; I271-R285 HydrophobicContact CD1-CB 4.31Å; R285-I287 HydrophobicContact CG-CD1 4.21Å; R285-I287 HydrophobicContact CG-CG1 4.03Å |
| 286 | I | 92.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.5 | -180 | -49.8 | -177.7 | 0 | 0 | 0 | 108.3 | V236 Q237 I239 V266 K267 M268 L284 V293 A296 C297 V300 | V236-I286 CarbonylContact C-O 3.35Å; V236-I286 WeakPolarHBondContact CA-O 3.36Å; Q237-I286 PolarHBondContact N-O 3.18Å; Q237-I286 PolarHBondContact O-N 3.22Å; I239-I286 HydrophobicContact CD1-CD1 3.86Å; I239-I286 HydrophobicContact CG1-CD1 4.38Å; V266-I286 HydrophobicContact CB-CG2 4.1Å; V266-I286 HydrophobicContact CG1-CG2 4.47Å; V266-I286 HydrophobicContact CG2-CG2 3.71Å; K267-I286 CarbonylContact O-C 3.58Å; K267-I286 WeakPolarHBondContact O-CA 3.35Å; M268-I286 HydrophobicContact CE-CG2 4.42Å; M268-I286 HydrophobicContact CG-CG1 4.27Å; M268-I286 HydrophobicContact CG-CG2 4.23Å; L284-I286 HydrophobicContact CD2-CD1 4.29Å; L284-I286 HydrophobicContact CD2-CG1 4.14Å; L284-I286 HydrophobicContact CG-CG1 4.28Å; I286-V293 HydrophobicContact CB-CG1 4.22Å; I286-V293 HydrophobicContact CG2-CB 4.39Å; I286-V293 HydrophobicContact CG2-CG1 4.01Å; I286-V293 HydrophobicContact CG2-CG2 4.21Å; I286-A296 HydrophobicContact CD1-CB 4.26Å; I286-A296 HydrophobicContact CG2-CB 3.69Å; I286-C297 HydrophobicContact CD1-CB 4.36Å; I286-V300 HydrophobicContact CD1-CG2 4.45Å |
| 287 | I | 91.3 | Very high | 84.6 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 19% | 0.19 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 119.8 | -170.1 | -47.3 | 178.7 | 0 | 0 | 0 | 110.1 | T235 V236 V266 K267 I269 R285 | T235-I287 CarbonylContact O-C 3.28Å; T235-I287 VanDerWaalsContact O-CA 3.26Å; T235-I287 WeakPolarHBondContact O-CA 3.48Å; V236-I287 HydrophobicContact CG1-CG1 4.49Å; V236-I287 HydrophobicContact CG2-CG1 4.22Å; V236-I287 HydrophobicContact CG2-CG2 4.16Å; V266-I287 WeakPolarHBondContact CB-O 3.13Å; K267-I287 HydrophobicContact CB-CB 4.31Å; K267-I287 PolarHBondContact N-O 2.99Å; K267-I287 PolarHBondContact O-N 2.91Å; I269-I287 HydrophobicContact CD1-CD1 3.93Å; R285-I287 HydrophobicContact CG-CD1 4.21Å; R285-I287 HydrophobicContact CG-CG1 4.03Å |
| 288 | G | 90.4 | Very high | 86.5 | Confident | 12 Ų | 12 | 69 Ų | 69 | 12% | 0.124 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.4 | -164.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G234 T235 V293 | G234-G288 CarbonylContact C-O 3.54Å; G234-G288 VanDerWaalsContact CA-O 3.27Å; G234-G288 WeakPolarHBondContact CA-O 3.35Å; T235-G288 PolarHBondContact N-O 3.24Å; T235-G288 PolarHBondContact O-N 3.14Å; T235-G288 PolarHBondContact OG1-O 2.58Å; G288-V293 VanDerWaalsContact C-CG2 3.48Å; G288-V293 WeakPolarHBondContact O-CG2 3.32Å |
| 289 | D | 89 | Confident | 88 | Confident | 83 Ų | 83 | 64.4 Ų | 64.4 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | trans | -61.4 | 142.6 | 176.3 | -58.3 | -51.4 | 0 | 0 | 0 | 110.9 | Y291 K292 V293 | D289-Y291 VanDerWaalsContact C-N 3.31Å; D289-Y291 PolarHBondContact O-N 2.93Å; D289-K292 HydrophobicContact CB-CB 4.24Å; D289-K292 HydrophobicContact CB-CD 3.98Å; D289-K292 HydrophobicContact CB-CG 4.12Å; D289-K292 CarbonylContact O-C 3.5Å; D289-K292 WeakPolarHBondContact O-CA 3.2Å; D289-K292 WeakPolarHBondContact O-CB 3.47Å; D289-K292 PolarHBondContact O-N 3.35Å; D289-K292 VanDerWaalsContact OD2-CD 3.3Å; D289-K292 WeakPolarHBondContact OD2-CD 3.26Å; D289-K292 WeakPolarHBondContact OD2-CE 3.43Å; D289-K292 IonicContact OD2-NZ 2.73Å; D289-K292 PolarHBondContact OD2-NZ 3.12Å; D289-V293 WeakPolarHBondContact O-CG2 3.22Å; D289-V293 PolarHBondContact O-N 3.38Å | ||
| 290 | P | 88.1 | Confident | 89.4 | Confident | 86 Ų | 86 | 57.5 Ų | 57.5 | 56% | 0.558 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -52.4 | -45.9 | -173.2 | 15.6 | -29.1 | 0 | 0 | 0 | 113.5 | T235 K292 V293 Q294 | T235-P290 HydrophobicContact CG2-CB 3.93Å; T235-P290 HydrophobicContact CG2-CG 4.32Å; T235-P290 WeakPolarHBondContact OG1-CA 3.2Å; P290-K292 PolarHBondContact O-N 3.36Å; P290-V293 PolarHBondContact O-N 3.34Å; P290-Q294 WeakPolarHBondContact O-CB 3.47Å; P290-Q294 PolarHBondContact O-N 3.1Å |
| 291 | Y | 89.8 | Confident | 90.4 | Very high | 175 Ų | 175 | 57.4 Ų | 57.4 | 69% | 0.686 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64 | -39.9 | 178.1 | -173.3 | -100.3 | 0 | 0 | 0 | 112.7 | D289 Q295 | D289-Y291 VanDerWaalsContact C-N 3.31Å; D289-Y291 PolarHBondContact O-N 2.93Å; Y291-Q295 WeakPolarHBondContact O-CB 3.43Å; Y291-Q295 PolarHBondContact O-N 3.22Å |
| 292 | K | 92.7 | Very high | 90.8 | Very high | 75 Ų | 75 | 57.4 Ų | 57.4 | 33% | 0.326 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -72 | -36.2 | 177.5 | -67.5 | 178.6 | -176.6 | 161.3 | 0 | 112.3 | A264 V266 D289 P290 Q295 A296 | A264-K292 VanDerWaalsContact O-CB 3.32Å; A264-K292 WeakPolarHBondContact O-CB 3.42Å; A264-K292 VanDerWaalsContact O-CD 3.26Å; A264-K292 WeakPolarHBondContact O-CD 3.18Å; A264-K292 VanDerWaalsContact O-CG 3.29Å; A264-K292 WeakPolarHBondContact O-CG 3.46Å; V266-K292 HydrophobicContact CG1-CB 3.58Å; D289-K292 HydrophobicContact CB-CB 4.24Å; D289-K292 HydrophobicContact CB-CD 3.98Å; D289-K292 HydrophobicContact CB-CG 4.12Å; D289-K292 CarbonylContact O-C 3.5Å; D289-K292 WeakPolarHBondContact O-CA 3.2Å; D289-K292 WeakPolarHBondContact O-CB 3.47Å; D289-K292 PolarHBondContact O-N 3.35Å; D289-K292 VanDerWaalsContact OD2-CD 3.3Å; D289-K292 WeakPolarHBondContact OD2-CD 3.26Å; D289-K292 WeakPolarHBondContact OD2-CE 3.43Å; D289-K292 IonicContact OD2-NZ 2.73Å; D289-K292 PolarHBondContact OD2-NZ 3.12Å; P290-K292 PolarHBondContact O-N 3.36Å; K292-Q295 PolarHBondContact O-N 3.23Å; K292-A296 WeakPolarHBondContact O-CB 3.34Å; K292-A296 PolarHBondContact O-N 3Å |
| 293 | V | 93.5 | Very high | 90.9 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.4 | -38.2 | 176 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | T235 Q237 V266 I286 G288 D289 P290 A296 C297 | T235-V293 WeakPolarHBondContact OG1-CG2 3.3Å; Q237-V293 HydrophobicContact CB-CG1 3.33Å; Q237-V293 HydrophobicContact CG-CG1 4.33Å; V266-V293 HydrophobicContact CG1-CG2 3.95Å; I286-V293 HydrophobicContact CB-CG1 4.22Å; I286-V293 HydrophobicContact CG2-CB 4.39Å; I286-V293 HydrophobicContact CG2-CG1 4.01Å; I286-V293 HydrophobicContact CG2-CG2 4.21Å; G288-V293 VanDerWaalsContact C-CG2 3.48Å; G288-V293 WeakPolarHBondContact O-CG2 3.32Å; D289-V293 WeakPolarHBondContact O-CG2 3.22Å; D289-V293 PolarHBondContact O-N 3.38Å; P290-V293 PolarHBondContact O-N 3.34Å; V293-A296 PolarHBondContact O-N 3.04Å; V293-C297 VanDerWaalsContact O-CB 3.32Å; V293-C297 WeakPolarHBondContact O-CB 3.39Å; V293-C297 PolarHBondContact O-N 3.07Å |
| 294 | Q | 90.7 | Very high | 90.8 | Very high | 138 Ų | 138 | 55 Ų | 55 | 65% | 0.645 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.5 | -48.6 | 171.4 | -170.4 | 172.4 | 18.3 | 0 | 0 | 111.6 | P290 A296 C297 E298 | P290-Q294 WeakPolarHBondContact O-CB 3.47Å; P290-Q294 PolarHBondContact O-N 3.1Å; Q294-A296 VanDerWaalsContact C-N 3.31Å; Q294-A296 PolarHBondContact O-N 2.99Å; Q294-C297 WeakPolarHBondContact O-CB 3.38Å; Q294-C297 PolarHBondContact O-N 3.19Å; Q294-E298 PolarHBondContact O-N 2.8Å |
| 295 | Q | 92.3 | Very high | 90.4 | Very high | 84 Ų | 84 | 63 Ų | 63 | 39% | 0.393 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.2 | -39 | 175.5 | -172.8 | -179 | 36.9 | 0 | 0 | 112.5 | Y291 K292 E298 M299 | Y291-Q295 WeakPolarHBondContact O-CB 3.43Å; Y291-Q295 PolarHBondContact O-N 3.22Å; K292-Q295 PolarHBondContact O-N 3.23Å; Q295-E298 PolarHBondContact O-N 3.4Å; Q295-M299 WeakPolarHBondContact O-CG 3.26Å; Q295-M299 PolarHBondContact O-N 3.42Å |
| 296 | A | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A264 V266 M268 I286 K292 V293 Q294 E298 M299 V300 | A264-A296 HydrophobicContact CB-CB 3.71Å; V266-A296 HydrophobicContact CG1-CB 4.34Å; V266-A296 HydrophobicContact CG2-CB 3.73Å; M268-A296 HydrophobicContact CE-CB 3.62Å; I286-A296 HydrophobicContact CD1-CB 4.26Å; I286-A296 HydrophobicContact CG2-CB 3.69Å; K292-A296 WeakPolarHBondContact O-CB 3.34Å; K292-A296 PolarHBondContact O-N 3Å; V293-A296 PolarHBondContact O-N 3.04Å; Q294-A296 VanDerWaalsContact C-N 3.31Å; Q294-A296 PolarHBondContact O-N 2.99Å; A296-E298 VanDerWaalsContact C-N 3.34Å; A296-M299 PolarHBondContact O-N 3.02Å; A296-V300 WeakPolarHBondContact O-CG2 3.27Å; A296-V300 PolarHBondContact O-N 2.82Å |
| 297 | C | 91.5 | Very high | 87.5 | Confident | 22 Ų | 22 | 69 Ų | 69 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 175 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | I286 V293 Q294 V300 M301 | I286-C297 HydrophobicContact CD1-CB 4.36Å; V293-C297 VanDerWaalsContact O-CB 3.32Å; V293-C297 WeakPolarHBondContact O-CB 3.39Å; V293-C297 PolarHBondContact O-N 3.07Å; Q294-C297 WeakPolarHBondContact O-CB 3.38Å; Q294-C297 PolarHBondContact O-N 3.19Å; C297-V300 PolarHBondContact O-N 3.35Å; C297-M301 WeakPolarHBondContact O-CG 3.37Å; C297-M301 PolarHBondContact O-N 2.68Å |
| 298 | E | 92 | Very high | 85.8 | Confident | 123 Ų | 123 | 72.7 Ų | 72.7 | 58% | 0.575 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.7 | -50.5 | 175.9 | -170.9 | 171.3 | -152.4 | 0 | 0 | 111.8 | Q294 Q295 A296 V300 M301 D302 | Q294-E298 PolarHBondContact O-N 2.8Å; Q295-E298 PolarHBondContact O-N 3.4Å; A296-E298 VanDerWaalsContact C-N 3.34Å; E298-V300 VanDerWaalsContact C-N 3.28Å; E298-V300 PolarHBondContact O-N 2.99Å; E298-M301 PolarHBondContact O-N 3.15Å; E298-D302 PolarHBondContact O-N 3.38Å |
| 299 | M | 90.9 | Very high | 83.6 | Confident | 33 Ų | 33 | 80.9 Ų | 80.9 | 16% | 0.163 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60 | -33.7 | 176.6 | -72.1 | -169.1 | -61.6 | 0 | 0 | 113.7 | L260 R263 A264 Q295 A296 I303 | L260-M299 HydrophobicContact CD2-CB 3.83Å; L260-M299 HydrophobicContact CD2-CE 4.42Å; R263-M299 HydrophobicContact CG-CE 4.32Å; R263-M299 HydrophobicContact CG-SD 4.09Å; A264-M299 HydrophobicContact CB-CE 3.58Å; Q295-M299 WeakPolarHBondContact O-CG 3.26Å; Q295-M299 PolarHBondContact O-N 3.42Å; A296-M299 PolarHBondContact O-N 3.02Å; M299-I303 WeakPolarHBondContact O-CG1 3.28Å; M299-I303 PolarHBondContact O-N 3.3Å |
| 300 | V | 92.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -72.2 | -43.3 | 173.4 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | I239 I241 V249 L260 M268 L284 I286 A296 C297 E298 D302 I303 L304 | I239-V300 HydrophobicContact CD1-CB 3.77Å; I239-V300 HydrophobicContact CD1-CG1 3.55Å; I239-V300 HydrophobicContact CD1-CG2 4.41Å; I241-V300 HydrophobicContact CD1-CG1 4.05Å; V249-V300 HydrophobicContact CG1-CG1 3.82Å; V249-V300 HydrophobicContact CG1-CG2 4.13Å; V249-V300 HydrophobicContact CG2-CG1 3.95Å; L260-V300 HydrophobicContact CD1-CG2 4.19Å; M268-V300 HydrophobicContact SD-CG2 4.47Å; L284-V300 HydrophobicContact CD2-CG1 4.13Å; L284-V300 HydrophobicContact CD2-CG2 3.9Å; I286-V300 HydrophobicContact CD1-CG2 4.45Å; A296-V300 WeakPolarHBondContact O-CG2 3.27Å; A296-V300 PolarHBondContact O-N 2.82Å; C297-V300 PolarHBondContact O-N 3.35Å; E298-V300 VanDerWaalsContact C-N 3.28Å; E298-V300 PolarHBondContact O-N 2.99Å; V300-D302 VanDerWaalsContact C-N 3.29Å; V300-D302 PolarHBondContact O-N 3.38Å; V300-I303 PolarHBondContact O-N 3.44Å; V300-L304 HydrophobicContact CG1-CD1 4.16Å; V300-L304 HydrophobicContact CG1-CG 4.44Å; V300-L304 WeakPolarHBondContact O-CG 3.49Å; V300-L304 PolarHBondContact O-N 2.86Å; V300-L304 VanDerWaalsContact O-N 3.1Å |
| 301 | M | 89.9 | Confident | 78.2 | Confident | 77 Ų | 77 | 79.7 Ų | 79.7 | 38% | 0.379 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.4 | -37.6 | 176.8 | -75.6 | -164.6 | 176.1 | 0 | 0 | 112.5 | C297 E298 L304 R305 | C297-M301 WeakPolarHBondContact O-CG 3.37Å; C297-M301 PolarHBondContact O-N 2.68Å; E298-M301 PolarHBondContact O-N 3.15Å; M301-L304 CarbonylContact O-C 3.52Å; M301-L304 PolarHBondContact O-N 3.15Å; M301-L304 VanDerWaalsContact O-N 3.17Å; M301-R305 WeakPolarHBondContact O-CB 3.16Å; M301-R305 VanDerWaalsContact O-CG 3.28Å; M301-R305 WeakPolarHBondContact O-CG 3.35Å; M301-R305 PolarHBondContact O-N 3.38Å |
| 302 | D | 89.2 | Confident | 75.8 | Confident | 67 Ų | 67 | 76.6 Ų | 76.6 | 36% | 0.358 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 176.2 | -71.9 | -20.2 | 0 | 0 | 0 | 111.8 | E298 V300 L304 R305 E306 | E298-D302 PolarHBondContact O-N 3.38Å; V300-D302 VanDerWaalsContact C-N 3.29Å; V300-D302 PolarHBondContact O-N 3.38Å; D302-L304 PolarHBondContact O-N 3.34Å; D302-R305 PolarHBondContact O-N 3.11Å; D302-R305 VanDerWaalsContact O-N 3.12Å; D302-E306 WeakPolarHBondContact O-CB 3.27Å; D302-E306 WeakPolarHBondContact O-CG 3.4Å; D302-E306 PolarHBondContact O-N 3.19Å |
| 303 | I | 87.6 | Confident | 73.1 | Confident | 36 Ų | 36 | 76 Ų | 76 | 19% | 0.185 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.2 | -32.9 | 173.6 | -69 | 166.6 | 0 | 0 | 0 | 112 | L248 V249 T256 L260 M299 V300 | L248-I303 HydrophobicContact CB-CG2 4.2Å; V249-I303 HydrophobicContact CG2-CG2 3.97Å; T256-I303 HydrophobicContact CG2-CD1 4.32Å; L260-I303 HydrophobicContact CD1-CD1 3.73Å; L260-I303 HydrophobicContact CD2-CD1 3.95Å; L260-I303 HydrophobicContact CG-CD1 4.27Å; M299-I303 WeakPolarHBondContact O-CG1 3.28Å; M299-I303 PolarHBondContact O-N 3.3Å; V300-I303 PolarHBondContact O-N 3.44Å |
| 304 | L | 86.3 | Confident | 70.6 | Confident | 21 Ų | 21 | 82.3 Ų | 82.3 | 11% | 0.11 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -76.7 | -29 | 176.4 | -62.5 | 176.5 | 0 | 0 | 0 | 113.2 | I241 K245 V249 V300 M301 D302 | I241-L304 HydrophobicContact CG1-CD1 4.27Å; I241-L304 HydrophobicContact CG2-CD1 4.43Å; I241-L304 HydrophobicContact CG2-CD2 3.76Å; K245-L304 HydrophobicContact CB-CD2 3.55Å; K245-L304 HydrophobicContact CD-CB 4.45Å; K245-L304 HydrophobicContact CD-CD2 3.91Å; K245-L304 HydrophobicContact CG-CD2 4.38Å; K245-L304 PolarHBondContact NZ-O 3.25Å; V249-L304 HydrophobicContact CG2-CD2 3.71Å; V249-L304 HydrophobicContact CG2-CG 4.21Å; V300-L304 HydrophobicContact CG1-CD1 4.16Å; V300-L304 HydrophobicContact CG1-CG 4.44Å; V300-L304 WeakPolarHBondContact O-CG 3.49Å; V300-L304 PolarHBondContact O-N 2.86Å; V300-L304 VanDerWaalsContact O-N 3.1Å; M301-L304 CarbonylContact O-C 3.52Å; M301-L304 PolarHBondContact O-N 3.15Å; M301-L304 VanDerWaalsContact O-N 3.17Å; D302-L304 PolarHBondContact O-N 3.34Å |
| 305 | R | 82.5 | Confident | 68.4 | Low | 167 Ų | 167 | 82.1 Ų | 82.1 | 63% | 0.63 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -83 | -49.1 | 178.7 | -74.2 | 169.8 | 175.5 | 174.8 | -0.7 | 112.8 | M301 D302 R307 D308 | M301-R305 WeakPolarHBondContact O-CB 3.16Å; M301-R305 VanDerWaalsContact O-CG 3.28Å; M301-R305 WeakPolarHBondContact O-CG 3.35Å; M301-R305 PolarHBondContact O-N 3.38Å; D302-R305 PolarHBondContact O-N 3.11Å; D302-R305 VanDerWaalsContact O-N 3.12Å; R305-R307 PolarHBondContact O-N 3.48Å; R305-D308 PolarHBondContact O-N 3.26Å |
| 306 | E | 67 | Low | 65.9 | Low | 133 Ų | 133 | 82.7 Ų | 82.7 | 62% | 0.621 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -13.9 | -176.1 | -75.8 | -165.3 | 164.6 | 0 | 0 | 114.3 | D302 | D302-E306 WeakPolarHBondContact O-CB 3.27Å; D302-E306 WeakPolarHBondContact O-CG 3.4Å; D302-E306 PolarHBondContact O-N 3.19Å |
| 307 | R | 58.3 | Low | 63.7 | Low | 74 Ų | 74 | 87.2 Ų | 87.2 | 28% | 0.279 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 8.2 | -174.1 | -67.4 | -168.3 | 173.9 | -148 | 8.4 | 115.4 | L248 R305 F312 | L248-R307 HydrophobicContact CD1-CB 4.01Å; R305-R307 PolarHBondContact O-N 3.48Å; R307-F312 HydrophobicContact CB-CE2 3.86Å; R307-F312 HydrophobicContact CB-CZ 4.32Å; R307-F312 HydrophobicContact CG-CE2 3.7Å; R307-F312 HydrophobicContact CG-CZ 3.63Å; R307-F312 VanDerWaalsContact CZ-CE1 3.44Å |
| 308 | D | 54.6 | Low | 61.1 | Low | 116 Ų | 116 | 92.2 Ų | 92.2 | 62% | 0.62 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -77.2 | -21.6 | 170.4 | -99.6 | -27.2 | 0 | 0 | 0 | 113.8 | K245 R305 G310 | K245-D308 WeakPolarHBondContact CE-OD1 3.29Å; K245-D308 IonicContact NZ-OD1 3.88Å; K245-D308 PolarHBondContact NZ-OD1 3.46Å; K245-D308 IonicContact NZ-OD2 2.78Å; K245-D308 PolarHBondContact NZ-OD2 2.99Å; R305-D308 PolarHBondContact O-N 3.26Å; D308-G310 PolarHBondContact O-N 3.44Å |
| 309 | Q | 43.9 | Very low | 58.7 | Low | 183 Ų | 183 | 88.8 Ų | 88.8 | 86% | 0.855 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -84.3 | 112.9 | 172.5 | -72.2 | 176.5 | 2.2 | 0 | 0 | 108.8 | ||
| 310 | G | 32.9 | Very low | 56.3 | Low | 81 Ų | 81 | 88 Ų | 88 | 84% | 0.835 | 48% | 0.476 | S | S | * | . | trans | -65.6 | 149.9 | -161.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | D308 | D308-G310 PolarHBondContact O-N 3.44Š| ||
| 311 | G | 31.7 | Very low | 53.9 | Low | 64 Ų | 64 | 96.9 Ų | 96.9 | 66% | 0.66 | 51% | 0.509 | S | S | * | . | trans | 152.5 | 42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | G313 | G311-G313 VanDerWaalsContact C-N 3.31Å; G311-G313 PolarHBondContact O-N 3.37Å | ||
| 312 | F | 38.9 | Very low | 51.8 | Low | 110 Ų | 110 | 100 Ų | 100 | 48% | 0.482 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 71.4 | 177.5 | -84.3 | -69.5 | 0 | 0 | 0 | 114 | R307 R315 | R307-F312 HydrophobicContact CB-CE2 3.86Å; R307-F312 HydrophobicContact CB-CZ 4.32Å; R307-F312 HydrophobicContact CG-CE2 3.7Å; R307-F312 HydrophobicContact CG-CZ 3.63Å; R307-F312 VanDerWaalsContact CZ-CE1 3.44Å; F312-R315 HydrophobicContact CE1-CB 3.93Å |
| 313 | G | 37.1 | Very low | 49.7 | Very low | 62 Ų | 62 | 99.3 Ų | 99.3 | 64% | 0.639 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -46.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G311 | G311-G313 VanDerWaalsContact C-N 3.31Å; G311-G313 PolarHBondContact O-N 3.37Å |
| 314 | D | 39.8 | Very low | 48.3 | Very low | 138 Ų | 138 | 99.6 Ų | 99.6 | 74% | 0.738 | 55% | 0.553 | S | S | * | * | trans | -127 | 21.9 | -150.8 | -76.3 | -83.6 | 0 | 0 | 0 | 117.3 | N316 | D314-N316 PolarHBondContact O-N 3.45Š| ||
| 315 | R | 45.5 | Very low | 47.6 | Very low | 133 Ų | 133 | 99.1 Ų | 99.1 | 50% | 0.502 | 55% | 0.553 | S | S | . | * | trans | -93.6 | 66.5 | -177.7 | -144.3 | 166.2 | -168.5 | -173.6 | -2.7 | 114.1 | F312 E317 | F312-R315 HydrophobicContact CE1-CB 3.93Å; R315-E317 HydrophobicContact CG-CB 4.39Å; R315-E317 PolarHBondContact O-N 2.97Å | ||
| 316 | N | 39.8 | Very low | 47.8 | Very low | 97 Ų | 97 | 93.4 Ų | 93.4 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | trans | -80.8 | 23.9 | 176.1 | -166.4 | 56.6 | 0 | 0 | 0 | 114 | D314 Y318 | D314-N316 PolarHBondContact O-N 3.45Å; N316-Y318 PolarHBondContact O-N 3.08Å | ||
| 317 | E | 45.5 | Very low | 48.8 | Very low | 94 Ų | 94 | 88.2 Ų | 88.2 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 1.8 | -156.5 | -166 | 137.5 | 64.8 | 0 | 0 | 116.2 | R315 | R315-E317 HydrophobicContact CG-CB 4.39Å; R315-E317 PolarHBondContact O-N 2.97Å |
| 318 | Y | 37.7 | Very low | 50.3 | Low | 127 Ų | 127 | 85 Ų | 85 | 50% | 0.498 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -20.6 | 177.7 | -129.6 | -83.6 | 0 | 0 | 0 | 114.5 | Q259 N316 | Q259-Y318 VanDerWaalsContact CD-CE1 3.46Å; N316-Y318 PolarHBondContact O-N 3.08Å |
| 319 | G | 41 | Very low | 52 | Low | 51 Ų | 51 | 82.9 Ų | 82.9 | 53% | 0.526 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -75.3 | -27.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R321 | G319-R321 VanDerWaalsContact C-N 3.31Å; G319-R321 PolarHBondContact O-N 3.11Å |
| 320 | S | 40.6 | Very low | 54.2 | Low | 17 Ų | 17 | 74.1 Ų | 74.1 | 12% | 0.119 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -76 | -13.1 | -173.4 | -49.7 | 0 | 0 | 0 | 0 | 114.5 | V322 G323 G324 G325 | S320-V322 VanDerWaalsContact C-N 3.33Å; S320-V322 PolarHBondContact O-N 3.39Å; S320-G323 CarbonylContact O-C 3.54Å; S320-G323 VanDerWaalsContact O-C 3.28Å; S320-G323 PolarHBondContact O-N 3.46Å; S320-G323 VanDerWaalsContact O-N 3.1Å; S320-G324 PolarHBondContact O-N 3.45Å; S320-G324 VanDerWaalsContact O-N 3.07Å; S320-G325 WeakPolarHBondContact CB-O 3.3Å; S320-G325 PolarHBondContact O-N 3.19Å |
| 321 | R | 42.1 | Very low | 56.9 | Low | 186 Ų | 186 | 70.5 Ų | 70.5 | 70% | 0.702 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -73.1 | -22.9 | 178.7 | -64.4 | -171 | -172.7 | -111.1 | -0.4 | 113.7 | G319 | G319-R321 VanDerWaalsContact C-N 3.31Å; G319-R321 PolarHBondContact O-N 3.11Å |
| 322 | V | 44.9 | Very low | 59.4 | Low | 144 Ų | 144 | 71.2 Ų | 71.2 | 87% | 0.873 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -8.9 | 169.9 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | S320 | S320-V322 VanDerWaalsContact C-N 3.33Å; S320-V322 PolarHBondContact O-N 3.39Å |
| 323 | G | 45.5 | Very low | 61.7 | Low | 52 Ų | 52 | 72.8 Ų | 72.8 | 54% | 0.536 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 22.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S320 G325 | S320-G323 CarbonylContact O-C 3.54Å; S320-G323 VanDerWaalsContact O-C 3.28Å; S320-G323 PolarHBondContact O-N 3.46Å; S320-G323 VanDerWaalsContact O-N 3.1Å; G323-G325 PolarHBondContact O-N 3.03Å |
| 324 | G | 58.3 | Low | 64.2 | Low | 41 Ų | 41 | 70 Ų | 70 | 42% | 0.423 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 28.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | S320 M374 G375 | S320-G324 PolarHBondContact O-N 3.45Å; S320-G324 VanDerWaalsContact O-N 3.07Å; G324-M374 CarbonylContact O-C 3.54Å; G324-M374 WeakPolarHBondContact O-CA 3.46Å; G324-G375 PolarHBondContact O-N 3.18Å |
| 325 | G | 71.9 | Confident | 66.6 | Low | 11 Ų | 11 | 64 Ų | 64 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 169.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 118 | S320 G323 I373 | S320-G325 WeakPolarHBondContact CB-O 3.3Å; S320-G325 PolarHBondContact O-N 3.19Å; G323-G325 PolarHBondContact O-N 3.03Å; G325-I373 CarbonylContact C-O 3.58Å; G325-I373 WeakPolarHBondContact CA-O 3.43Å |
| 326 | I | 86.6 | Confident | 68.5 | Low | 48 Ų | 48 | 60.2 Ų | 60.2 | 25% | 0.246 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 135.8 | 178.9 | -58.4 | -178.8 | 0 | 0 | 0 | 109.1 | V328 I373 C380 E381 | I326-V328 HydrophobicContact CG2-CG2 4.23Å; I326-I373 PolarHBondContact N-O 3.49Å; I326-I373 PolarHBondContact O-N 3.13Å; I326-C380 HydrophobicContact CB-CB 4.35Å; I326-C380 HydrophobicContact CD1-CB 3.46Å; I326-C380 VanDerWaalsContact CD1-CB 3.46Å; I326-C380 HydrophobicContact CG1-CB 3.73Å; I326-E381 HydrophobicContact CD1-CG 3.96Å |
| 327 | D | 89 | Confident | 70.9 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 12% | 0.123 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.1 | 172.8 | -84.5 | -26.1 | 0 | 0 | 0 | 109.8 | K360 I370 H372 | D327-K360 IonicContact OD1-NZ 3.88Å; D327-K360 PolarHBondContact OD1-NZ 2.93Å; D327-K360 IonicContact OD2-NZ 2.67Å; D327-K360 PolarHBondContact OD2-NZ 3.21Å; D327-I370 HydrophobicContact CB-CG2 3.64Å; D327-I370 WeakPolarHBondContact OD1-CG2 2.94Å; D327-H372 WeakPolarHBondContact OD1-CB 3.12Å; D327-H372 IonicContact OD1-CE1 3.38Å; D327-H372 IonicContact OD1-CG 3.15Å; D327-H372 IonicContact OD1-ND1 2.69Å; D327-H372 PolarHBondContact OD1-ND1 3.46Å |
| 328 | V | 89.2 | Confident | 73.1 | Confident | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.2 | 178.1 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | I326 V330 A371 I373 A384 I387 | I326-V328 HydrophobicContact CG2-CG2 4.23Å; V328-V330 HydrophobicContact CG1-CG2 4.39Å; V328-V330 PolarHBondContact O-N 2.61Å; V328-A371 PolarHBondContact N-O 3.46Å; V328-A371 PolarHBondContact O-N 2.88Å; V328-I373 HydrophobicContact CB-CD1 4.42Å; V328-I373 HydrophobicContact CG2-CD1 3.56Å; V328-I373 HydrophobicContact CG2-CG1 4.25Å; V328-A384 HydrophobicContact CG2-CB 3.73Å; V328-I387 HydrophobicContact CG1-CG2 4.15Å |
| 329 | P | 89.8 | Confident | 75.6 | Confident | 71 Ų | 71 | 50.6 Ų | 50.6 | 46% | 0.461 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 126.1 | 174 | 28.2 | -32.3 | 0 | 0 | 0 | 110.8 | E368 | P329-E368 HydrophobicContact CB-CB 4.45Å; P329-E368 WeakPolarHBondContact CB-OE2 3.5Å |
| 330 | V | 90.1 | Very high | 77.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 114.6 | -179.9 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | V328 R332 V335 V338 F359 K369 A371 I387 L391 | V328-V330 HydrophobicContact CG1-CG2 4.39Å; V328-V330 PolarHBondContact O-N 2.61Å; V330-R332 PolarHBondContact O-N 3.28Å; V330-V335 HydrophobicContact CB-CG2 4.16Å; V330-V335 HydrophobicContact CG1-CB 4.41Å; V330-V335 HydrophobicContact CG1-CG2 3.7Å; V330-V338 HydrophobicContact CG1-CB 4.45Å; V330-V338 HydrophobicContact CG1-CG2 3.83Å; V330-F359 HydrophobicContact CB-CE1 3.97Å; V330-F359 HydrophobicContact CG1-CE1 4.13Å; V330-F359 HydrophobicContact CG1-CZ 4.49Å; V330-F359 HydrophobicContact CG2-CE1 3.9Å; V330-F359 HydrophobicContact CG2-CZ 4.34Å; V330-K369 WeakPolarHBondContact CB-O 3.42Å; V330-K369 PolarHBondContact N-O 3.17Å; V330-K369 PolarHBondContact O-N 2.99Å; V330-A371 HydrophobicContact CG2-CB 3.79Å; V330-I387 HydrophobicContact CG2-CG2 3.94Å; V330-L391 HydrophobicContact CG1-CD1 4.42Å; V330-L391 HydrophobicContact CG1-CD2 4.1Å |
| 331 | P | 89.4 | Confident | 79.9 | Confident | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.3 | 132.8 | 177.3 | -28.3 | 34.7 | 0 | 0 | 0 | 112.1 | H333 S334 V335 E368 | P331-H333 WeakPolarHBondContact CB-CE1 3.35Å; P331-H333 PolarHBondContact O-N 3.2Å; P331-H333 VanDerWaalsContact O-N 3.11Å; P331-S334 WeakPolarHBondContact O-CA 3.42Å; P331-S334 PolarHBondContact O-N 3.03Å; P331-V335 PolarHBondContact O-N 3.37Å; P331-V335 VanDerWaalsContact O-N 3.15Å; P331-E368 HydrophobicContact CG-CG 4.48Å |
| 332 | R | 85.3 | Confident | 81.9 | Confident | 79 Ų | 79 | 50 Ų | 50 | 30% | 0.298 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -53.5 | -39.1 | -171.2 | -79.4 | -176.2 | 171.7 | 159.9 | 12.6 | 113.8 | V330 S334 V335 D362 G364 G366 P367 K369 | V330-R332 PolarHBondContact O-N 3.28Å; R332-S334 PolarHBondContact O-N 3.13Å; R332-V335 PolarHBondContact O-N 3.33Å; R332-D362 IonicContact CZ-OD1 2.87Å; R332-D362 IonicContact CZ-OD2 3.15Å; R332-D362 IonicContact NE-OD1 2.7Å; R332-D362 IonicContact NE-OD2 2.75Å; R332-D362 PolarHBondContact NE-OD2 2.78Å; R332-D362 VanDerWaalsContact NH2-CG 3.27Å; R332-D362 IonicContact NH2-OD1 3.4Å; R332-D362 PolarHBondContact NH2-OD1 3.12Å; R332-D362 IonicContact NH2-OD2 3.11Å; R332-D362 PolarHBondContact NH2-OD2 3.13Å; R332-G364 VanDerWaalsContact CZ-C 3.48Å; R332-G364 PolarHBondContact NH1-O 3.21Å; R332-G366 WeakPolarHBondContact CD-O 3.33Å; R332-G366 PolarHBondContact NE-O 2.87Å; R332-G366 PolarHBondContact NH1-O 3.14Å; R332-G366 VanDerWaalsContact NH2-N 3.18Å; R332-G366 PolarHBondContact NH2-O 3.3Å; R332-G366 VanDerWaalsContact NH2-O 3.16Å; R332-P367 PolarHBondContact N-O 3.38Å; R332-K369 HydrophobicContact CG-CB 4.35Å |
| 333 | H | 87.4 | Confident | 84 | Confident | 143 Ų | 143 | 43.7 Ų | 43.7 | 66% | 0.662 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.6 | -27.4 | 177.1 | 55.6 | -100.3 | 0 | 0 | 0 | 113.2 | P331 | P331-H333 WeakPolarHBondContact CB-CE1 3.35Å; P331-H333 PolarHBondContact O-N 3.2Å; P331-H333 VanDerWaalsContact O-N 3.11Å |
| 334 | S | 88.8 | Confident | 86.1 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 3% | 0.028 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -95.5 | -15.1 | -179 | -58.7 | 0 | 0 | 0 | 0 | 114.2 | P331 R332 G336 V337 V338 | P331-S334 WeakPolarHBondContact O-CA 3.42Å; P331-S334 PolarHBondContact O-N 3.03Å; R332-S334 PolarHBondContact O-N 3.13Å; S334-G336 PolarHBondContact O-N 3.37Å; S334-V337 WeakPolarHBondContact O-CA 3.21Å; S334-V337 WeakPolarHBondContact O-CB 3.47Å; S334-V337 PolarHBondContact O-N 2.93Å; S334-V338 PolarHBondContact O-N 2.89Å; S334-V338 VanDerWaalsContact O-N 3.08Å |
| 335 | V | 89.4 | Confident | 87.7 | Confident | 12 Ų | 12 | 48.3 Ų | 48.3 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -51.7 | -41.1 | 177.5 | 173 | 0 | 0 | 0 | 0 | 111.6 | V330 P331 R332 V337 V338 I339 F359 K369 | V330-V335 HydrophobicContact CB-CG2 4.16Å; V330-V335 HydrophobicContact CG1-CB 4.41Å; V330-V335 HydrophobicContact CG1-CG2 3.7Å; P331-V335 PolarHBondContact O-N 3.37Å; P331-V335 VanDerWaalsContact O-N 3.15Å; R332-V335 PolarHBondContact O-N 3.33Å; V335-V337 VanDerWaalsContact C-N 3.26Å; V335-V337 PolarHBondContact O-N 3.03Å; V335-V338 PolarHBondContact O-N 3.29Å; V335-I339 HydrophobicContact CG1-CD1 3.59Å; V335-I339 HydrophobicContact CG1-CG1 4.19Å; V335-I339 WeakPolarHBondContact O-CB 3.49Å; V335-I339 WeakPolarHBondContact O-CG1 3.44Å; V335-I339 PolarHBondContact O-N 3.04Å; V335-F359 HydrophobicContact CG1-CD1 4.18Å; V335-F359 HydrophobicContact CG1-CE1 3.95Å; V335-F359 HydrophobicContact CG1-CZ 4.27Å; V335-F359 HydrophobicContact CG2-CE1 4.14Å; V335-K369 HydrophobicContact CG1-CD 4.32Å; V335-K369 HydrophobicContact CG2-CB 3.78Å; V335-K369 HydrophobicContact CG2-CD 4.11Å; V335-K369 HydrophobicContact CG2-CG 4.37Å |
| 336 | G | 87.4 | Confident | 88.7 | Confident | 53 Ų | 53 | 48.7 Ų | 48.7 | 55% | 0.546 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.9 | -30.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S334 G340 | S334-G336 PolarHBondContact O-N 3.37Å; G336-G340 WeakPolarHBondContact O-CA 3.29Å; G336-G340 PolarHBondContact O-N 3.06Å |
| 337 | V | 89.7 | Confident | 89 | Confident | 61 Ų | 61 | 52.9 Ų | 52.9 | 37% | 0.37 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -78.9 | -42.3 | 176.4 | -171.5 | 0 | 0 | 0 | 0 | 110.9 | S334 V335 G340 L390 L394 | S334-V337 WeakPolarHBondContact O-CA 3.21Å; S334-V337 WeakPolarHBondContact O-CB 3.47Å; S334-V337 PolarHBondContact O-N 2.93Å; V335-V337 VanDerWaalsContact C-N 3.26Å; V335-V337 PolarHBondContact O-N 3.03Å; V337-G340 PolarHBondContact O-N 3.28Å; V337-L390 HydrophobicContact CG1-CD1 4.13Å; V337-L390 HydrophobicContact CG1-CD2 4.39Å; V337-L390 HydrophobicContact CG1-CG 4.33Å; V337-L394 HydrophobicContact CB-CD1 3.81Å; V337-L394 HydrophobicContact CG1-CD1 3.94Å; V337-L394 HydrophobicContact CG1-CD2 4.28Å; V337-L394 HydrophobicContact CG2-CD1 3.83Å; V337-L394 HydrophobicContact CG2-CD2 4.17Å |
| 338 | V | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 177 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | V330 S334 V335 I346 I349 F359 I387 L390 L391 | V330-V338 HydrophobicContact CG1-CB 4.45Å; V330-V338 HydrophobicContact CG1-CG2 3.83Å; S334-V338 PolarHBondContact O-N 2.89Å; S334-V338 VanDerWaalsContact O-N 3.08Å; V335-V338 PolarHBondContact O-N 3.29Å; V338-I346 PolarHBondContact O-N 2.89Å; V338-I346 VanDerWaalsContact O-N 3.17Å; V338-I349 HydrophobicContact CG1-CD1 4.43Å; V338-F359 HydrophobicContact CB-CZ 4.17Å; V338-F359 HydrophobicContact CG1-CE2 4.39Å; V338-F359 HydrophobicContact CG1-CZ 3.85Å; V338-I387 HydrophobicContact CG1-CD1 4.42Å; V338-I387 HydrophobicContact CG1-CG1 4.08Å; V338-I387 HydrophobicContact CG1-CG2 4.14Å; V338-I387 HydrophobicContact CG2-CG2 4.28Å; V338-L390 HydrophobicContact CB-CD2 4.41Å; V338-L390 HydrophobicContact CG2-CD2 4.09Å; V338-L391 HydrophobicContact CG2-CD2 4.19Å |
| 339 | I | 90.4 | Very high | 89.3 | Confident | 56 Ų | 56 | 57.1 Ų | 57.1 | 29% | 0.287 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.2 | -44.7 | 171.4 | -64.7 | 175.8 | 0 | 0 | 0 | 110.1 | V335 G343 M345 I346 F359 | V335-I339 HydrophobicContact CG1-CD1 3.59Å; V335-I339 HydrophobicContact CG1-CG1 4.19Å; V335-I339 WeakPolarHBondContact O-CB 3.49Å; V335-I339 WeakPolarHBondContact O-CG1 3.44Å; V335-I339 PolarHBondContact O-N 3.04Å; I339-G343 CarbonylContact O-C 3.59Å; I339-G343 VanDerWaalsContact O-C 3.25Å; I339-G343 WeakPolarHBondContact O-CA 3.46Å; I339-M345 PolarHBondContact O-N 2.84Å; I339-I346 HydrophobicContact CG2-CG2 4.22Å; I339-I346 PolarHBondContact O-N 3.43Å; I339-I346 VanDerWaalsContact O-N 3.07Å; I339-F359 HydrophobicContact CD1-CD2 4Å; I339-F359 HydrophobicContact CD1-CE2 4.08Å; I339-F359 HydrophobicContact CG1-CD2 3.9Å; I339-F359 HydrophobicContact CG1-CE2 3.52Å; I339-F359 HydrophobicContact CG1-CZ 4.17Å |
| 340 | G | 88.2 | Confident | 89.4 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | trans | 74.5 | 163.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G336 V337 S342 G343 | G336-G340 WeakPolarHBondContact O-CA 3.29Å; G336-G340 PolarHBondContact O-N 3.06Å; V337-G340 PolarHBondContact O-N 3.28Å; G340-S342 PolarHBondContact O-N 2.87Å; G340-G343 PolarHBondContact O-N 3.37Å | ||
| 341 | R | 83.8 | Confident | 89.6 | Confident | 123 Ų | 123 | 62.2 Ų | 62.2 | 46% | 0.464 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -59.5 | 123.7 | 178.3 | -63.7 | 176.5 | -62.6 | -176.1 | 0.7 | 109.1 | G343 E344 E460 | R341-G343 PolarHBondContact O-N 3.05Å; R341-E344 WeakPolarHBondContact O-CB 3.31Å; R341-E344 PolarHBondContact O-N 2.96Å; R341-E460 IonicContact CZ-OE1 3.78Å; R341-E460 IonicContact NH1-OE1 2.88Å; R341-E460 PolarHBondContact NH1-OE1 3.3Å; R341-E460 IonicContact NH2-OE1 3.34Å; R341-E460 PolarHBondContact NH2-OE1 3.28Å; R341-E460 IonicContact NH2-OE2 2.7Å; R341-E460 PolarHBondContact NH2-OE2 3.24Å |
| 342 | S | 84.9 | Confident | 89.8 | Confident | 102 Ų | 102 | 66.4 Ų | 66.4 | 71% | 0.713 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | 63.7 | 18.4 | -176.1 | -49.4 | 0 | 0 | 0 | 0 | 115.9 | G340 E344 | G340-S342 PolarHBondContact O-N 2.87Å; S342-E344 VanDerWaalsContact C-N 3.29Å; S342-E344 PolarHBondContact O-N 3.01Å |
| 343 | G | 87.2 | Confident | 90 | Very high | 12 Ų | 12 | 63 Ų | 63 | 12% | 0.124 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | 74.9 | 16.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | I339 G340 R341 I346 K347 | I339-G343 CarbonylContact O-C 3.59Å; I339-G343 VanDerWaalsContact O-C 3.25Å; I339-G343 WeakPolarHBondContact O-CA 3.46Å; G340-G343 PolarHBondContact O-N 3.37Å; R341-G343 PolarHBondContact O-N 3.05Å; G343-I346 VanDerWaalsContact O-CG2 3.26Å; G343-I346 WeakPolarHBondContact O-CG2 3.47Å; G343-K347 VanDerWaalsContact O-CB 3.31Å; G343-K347 WeakPolarHBondContact O-CB 3.36Å; G343-K347 WeakPolarHBondContact O-CD 3.29Å; G343-K347 WeakPolarHBondContact O-CG 3.42Å; G343-K347 PolarHBondContact O-N 3.31Å; G343-K347 VanDerWaalsContact O-N 3.08Å |
| 344 | E | 90.6 | Very high | 90.1 | Very high | 133 Ų | 133 | 57.6 Ų | 57.6 | 62% | 0.621 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.1 | -42.3 | -177.8 | -173.5 | 177.5 | -178.2 | 0 | 0 | 112.2 | R341 S342 K347 K348 | R341-E344 WeakPolarHBondContact O-CB 3.31Å; R341-E344 PolarHBondContact O-N 2.96Å; S342-E344 VanDerWaalsContact C-N 3.29Å; S342-E344 PolarHBondContact O-N 3.01Å; E344-K347 PolarHBondContact O-N 3.25Å; E344-K348 WeakPolarHBondContact O-CB 3.49Å; E344-K348 PolarHBondContact O-N 3.03Å |
| 345 | M | 91.6 | Very high | 90.4 | Very high | 56 Ų | 56 | 58 Ų | 58 | 28% | 0.276 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.8 | -46.2 | -177.5 | -169.1 | 61.5 | 176.2 | 0 | 0 | 111.2 | I339 K347 K348 I349 L390 | I339-M345 PolarHBondContact O-N 2.84Å; M345-K347 VanDerWaalsContact C-N 3.32Å; M345-K347 PolarHBondContact O-N 3.37Å; M345-K348 WeakPolarHBondContact O-CB 3.08Å; M345-K348 PolarHBondContact O-N 3.33Å; M345-K348 VanDerWaalsContact O-N 3.14Å; M345-K348 HydrophobicContact SD-CD 4.47Å; M345-I349 HydrophobicContact CE-CD1 4.43Å; M345-I349 HydrophobicContact CG-CD1 4.16Å; M345-I349 VanDerWaalsContact O-CG1 3.3Å; M345-I349 WeakPolarHBondContact O-CG1 3.38Å; M345-I349 PolarHBondContact O-N 3.35Å; M345-L390 HydrophobicContact CE-CD1 4.15Å; M345-L390 HydrophobicContact CE-CD2 3.8Å; M345-L390 HydrophobicContact CG-CD2 4.09Å |
| 346 | I | 92.4 | Very high | 90.5 | Very high | 19 Ų | 19 | 65.8 Ų | 65.8 | 10% | 0.097 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 175.1 | -170.9 | -177.6 | 0 | 0 | 0 | 111.8 | V338 I339 G343 K348 I349 Q350 I357 F359 | V338-I346 PolarHBondContact O-N 2.89Å; V338-I346 VanDerWaalsContact O-N 3.17Å; I339-I346 HydrophobicContact CG2-CG2 4.22Å; I339-I346 PolarHBondContact O-N 3.43Å; I339-I346 VanDerWaalsContact O-N 3.07Å; G343-I346 VanDerWaalsContact O-CG2 3.26Å; G343-I346 WeakPolarHBondContact O-CG2 3.47Å; I346-K348 VanDerWaalsContact C-N 3.34Å; I346-K348 PolarHBondContact O-N 3.44Å; I346-I349 PolarHBondContact O-N 2.95Å; I346-Q350 HydrophobicContact CG1-CG 4.39Å; I346-Q350 WeakPolarHBondContact O-CB 3.14Å; I346-Q350 WeakPolarHBondContact O-CG 3.4Å; I346-Q350 PolarHBondContact O-N 3.09Å; I346-I357 HydrophobicContact CD1-CB 3.95Å; I346-I357 HydrophobicContact CD1-CG2 3.93Å; I346-I357 WeakPolarHBondContact CD1-O 3.1Å; I346-I357 HydrophobicContact CG1-CB 3.95Å; I346-I357 HydrophobicContact CG1-CD1 4.35Å; I346-I357 HydrophobicContact CG1-CG2 4.19Å; I346-F359 HydrophobicContact CD1-CD2 4.01Å; I346-F359 HydrophobicContact CD1-CE2 3.84Å |
| 347 | K | 93.2 | Very high | 90.7 | Very high | 137 Ų | 137 | 63.5 Ų | 63.5 | 60% | 0.596 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.9 | -40.1 | 173.8 | -78.3 | 171.6 | -178.9 | 172.9 | 0 | 112.1 | G343 E344 M345 Q350 N351 | G343-K347 VanDerWaalsContact O-CB 3.31Å; G343-K347 WeakPolarHBondContact O-CB 3.36Å; G343-K347 WeakPolarHBondContact O-CD 3.29Å; G343-K347 WeakPolarHBondContact O-CG 3.42Å; G343-K347 PolarHBondContact O-N 3.31Å; G343-K347 VanDerWaalsContact O-N 3.08Å; E344-K347 PolarHBondContact O-N 3.25Å; M345-K347 VanDerWaalsContact C-N 3.32Å; M345-K347 PolarHBondContact O-N 3.37Å; K347-Q350 PolarHBondContact O-N 3.24Å; K347-N351 VanDerWaalsContact O-CB 3.3Å; K347-N351 WeakPolarHBondContact O-CB 3.18Å; K347-N351 PolarHBondContact O-N 3.13Å |
| 348 | K | 93.3 | Very high | 90.7 | Very high | 117 Ų | 117 | 66.2 Ų | 66.2 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.3 | -50.8 | 174.1 | -174.5 | -172.3 | 172.6 | -163.1 | 0 | 110.9 | E344 M345 I346 Q350 N351 D352 | E344-K348 WeakPolarHBondContact O-CB 3.49Å; E344-K348 PolarHBondContact O-N 3.03Å; M345-K348 WeakPolarHBondContact O-CB 3.08Å; M345-K348 PolarHBondContact O-N 3.33Å; M345-K348 VanDerWaalsContact O-N 3.14Å; M345-K348 HydrophobicContact SD-CD 4.47Å; I346-K348 VanDerWaalsContact C-N 3.34Å; I346-K348 PolarHBondContact O-N 3.44Å; K348-Q350 VanDerWaalsContact C-N 3.33Å; K348-Q350 PolarHBondContact O-N 3.03Å; K348-N351 PolarHBondContact O-N 3.34Å; K348-N351 VanDerWaalsContact O-N 3.16Å; K348-D352 WeakPolarHBondContact CE-OD2 3.42Å; K348-D352 WeakPolarHBondContact CG-OD2 3.4Å; K348-D352 WeakPolarHBondContact O-CB 3.46Å; K348-D352 VanDerWaalsContact O-CG 3.23Å; K348-D352 PolarHBondContact O-N 3.45Å |
| 349 | I | 92.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 178.9 | -58.6 | 165.9 | 0 | 0 | 0 | 111 | V338 M345 I346 N351 A353 I357 A383 I386 I387 | V338-I349 HydrophobicContact CG1-CD1 4.43Å; M345-I349 HydrophobicContact CE-CD1 4.43Å; M345-I349 HydrophobicContact CG-CD1 4.16Å; M345-I349 VanDerWaalsContact O-CG1 3.3Å; M345-I349 WeakPolarHBondContact O-CG1 3.38Å; M345-I349 PolarHBondContact O-N 3.35Å; I346-I349 PolarHBondContact O-N 2.95Å; I349-N351 PolarHBondContact O-N 3.02Å; I349-A353 WeakPolarHBondContact O-CB 3.48Å; I349-A353 PolarHBondContact O-N 2.95Å; I349-I357 HydrophobicContact CB-CD1 4.11Å; I349-I357 HydrophobicContact CG2-CD1 3.63Å; I349-A383 HydrophobicContact CG2-CB 4.32Å; I349-I386 HydrophobicContact CD1-CG2 4.21Å; I349-I386 HydrophobicContact CG1-CG2 3.82Å; I349-I386 HydrophobicContact CG2-CB 4.25Å; I349-I386 HydrophobicContact CG2-CD1 4.48Å; I349-I386 HydrophobicContact CG2-CG2 4.09Å; I349-I387 HydrophobicContact CD1-CG1 4.33Å; I349-I387 HydrophobicContact CG2-CG1 4.46Å |
| 350 | Q | 92.4 | Very high | 90.3 | Very high | 51 Ų | 51 | 68.5 Ų | 68.5 | 24% | 0.238 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59 | -43.9 | 174.5 | -77.3 | 177.2 | 10.6 | 0 | 0 | 112.5 | I346 K347 K348 G354 V355 I357 | I346-Q350 HydrophobicContact CG1-CG 4.39Å; I346-Q350 WeakPolarHBondContact O-CB 3.14Å; I346-Q350 WeakPolarHBondContact O-CG 3.4Å; I346-Q350 PolarHBondContact O-N 3.09Å; K347-Q350 PolarHBondContact O-N 3.24Å; K348-Q350 VanDerWaalsContact C-N 3.33Å; K348-Q350 PolarHBondContact O-N 3.03Å; Q350-G354 CarbonylContact O-C 3.23Å; Q350-G354 WeakPolarHBondContact O-CA 3.46Å; Q350-G354 PolarHBondContact O-N 3.39Å; Q350-V355 CarbonylContact C-O 3.55Å; Q350-V355 VanDerWaalsContact CA-O 3.32Å; Q350-V355 WeakPolarHBondContact CA-O 3.48Å; Q350-V355 WeakPolarHBondContact CB-O 3.43Å; Q350-V355 WeakPolarHBondContact CG-O 3.3Å; Q350-V355 PolarHBondContact O-N 3.38Å; Q350-I357 HydrophobicContact CG-CB 4Å; Q350-I357 HydrophobicContact CG-CD1 3.92Å; Q350-I357 HydrophobicContact CG-CG1 3.81Å; Q350-I357 PolarHBondContact NE2-O 3.39Å |
| 351 | N | 93.8 | Very high | 89.5 | Confident | 127 Ų | 127 | 77 Ų | 77 | 68% | 0.679 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -72.3 | -47.8 | -179.5 | -176.1 | 70.7 | 0 | 0 | 0 | 112.3 | K347 K348 I349 G354 | K347-N351 VanDerWaalsContact O-CB 3.3Å; K347-N351 WeakPolarHBondContact O-CB 3.18Å; K347-N351 PolarHBondContact O-N 3.13Å; K348-N351 PolarHBondContact O-N 3.34Å; K348-N351 VanDerWaalsContact O-N 3.16Å; I349-N351 PolarHBondContact O-N 3.02Å; N351-G354 PolarHBondContact O-N 3.02Å |
| 352 | D | 92.5 | Very high | 88.9 | Confident | 92 Ų | 92 | 73.5 Ų | 73.5 | 49% | 0.492 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | -176.3 | -67.6 | -0.7 | 0 | 0 | 0 | 111.3 | K348 | K348-D352 WeakPolarHBondContact CE-OD2 3.42Å; K348-D352 WeakPolarHBondContact CG-OD2 3.4Å; K348-D352 WeakPolarHBondContact O-CB 3.46Å; K348-D352 VanDerWaalsContact O-CG 3.23Å; K348-D352 PolarHBondContact O-N 3.45Å |
| 353 | A | 90.4 | Very high | 88 | Confident | 6 Ų | 6 | 75.6 Ų | 75.6 | 5% | 0.05 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -86.5 | -14.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I349 V355 R379 A383 I386 | I349-A353 WeakPolarHBondContact O-CB 3.48Å; I349-A353 PolarHBondContact O-N 2.95Å; A353-V355 HydrophobicContact CB-CG1 4.45Å; A353-V355 HydrophobicContact CB-CG2 4.1Å; A353-R379 WeakPolarHBondContact O-CB 3.35Å; A353-R379 VanDerWaalsContact O-CD 3.29Å; A353-R379 WeakPolarHBondContact O-CD 3.31Å; A353-R379 WeakPolarHBondContact O-CG 3.4Å; A353-A383 HydrophobicContact CB-CB 3.71Å; A353-I386 HydrophobicContact CB-CD1 4.45Å |
| 354 | G | 89.7 | Confident | 87 | Confident | 31 Ų | 31 | 77.7 Ų | 77.7 | 32% | 0.32 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 47.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q350 N351 R379 | Q350-G354 CarbonylContact O-C 3.23Å; Q350-G354 WeakPolarHBondContact O-CA 3.46Å; Q350-G354 PolarHBondContact O-N 3.39Å; N351-G354 PolarHBondContact O-N 3.02Å; G354-R379 PolarHBondContact O-NH1 3.49Å |
| 355 | V | 93.6 | Very high | 86.1 | Confident | 11 Ų | 11 | 77.5 Ų | 77.5 | 7% | 0.067 | 40% | 0.397 | C | S | . | . | trans | -133.3 | 167.9 | -178.7 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | Q350 A353 I357 I373 M374 R379 A383 | Q350-V355 CarbonylContact C-O 3.55Å; Q350-V355 VanDerWaalsContact CA-O 3.32Å; Q350-V355 WeakPolarHBondContact CA-O 3.48Å; Q350-V355 WeakPolarHBondContact CB-O 3.43Å; Q350-V355 WeakPolarHBondContact CG-O 3.3Å; Q350-V355 PolarHBondContact O-N 3.38Å; A353-V355 HydrophobicContact CB-CG1 4.45Å; A353-V355 HydrophobicContact CB-CG2 4.1Å; V355-I357 HydrophobicContact CG2-CD1 4.27Å; V355-I357 HydrophobicContact CG2-CG1 4.01Å; V355-I373 HydrophobicContact CB-CG2 3.99Å; V355-I373 HydrophobicContact CG1-CG2 4.29Å; V355-I373 HydrophobicContact CG2-CG2 3.8Å; V355-M374 WeakPolarHBondContact CB-O 3.36Å; V355-R379 HydrophobicContact CG1-CB 3.6Å; V355-A383 HydrophobicContact CG2-CB 3.62Å | ||
| 356 | R | 91.9 | Very high | 85.2 | Confident | 176 Ų | 176 | 76 Ų | 76 | 66% | 0.664 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.9 | 168 | -67.1 | 173.3 | 67.2 | -173.7 | 0.2 | 109.1 | I373 M374 | R356-I373 CarbonylContact O-C 3.55Å; R356-I373 WeakPolarHBondContact O-CA 3.4Å; R356-M374 HydrophobicContact CB-CB 4.4Å; R356-M374 HydrophobicContact CB-CE 4.14Å; R356-M374 PolarHBondContact N-O 3.14Å; R356-M374 PolarHBondContact O-N 3.49Å |
| 357 | I | 91.8 | Very high | 84.8 | Confident | 6 Ų | 6 | 80.2 Ų | 80.2 | 3% | 0.031 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 123.1 | 179.6 | -56.3 | 166.4 | 0 | 0 | 0 | 108.5 | I346 I349 Q350 V355 A371 H372 I373 I387 | I346-I357 HydrophobicContact CD1-CB 3.95Å; I346-I357 HydrophobicContact CD1-CG2 3.93Å; I346-I357 WeakPolarHBondContact CD1-O 3.1Å; I346-I357 HydrophobicContact CG1-CB 3.95Å; I346-I357 HydrophobicContact CG1-CD1 4.35Å; I346-I357 HydrophobicContact CG1-CG2 4.19Å; I349-I357 HydrophobicContact CB-CD1 4.11Å; I349-I357 HydrophobicContact CG2-CD1 3.63Å; Q350-I357 HydrophobicContact CG-CB 4Å; Q350-I357 HydrophobicContact CG-CD1 3.92Å; Q350-I357 HydrophobicContact CG-CG1 3.81Å; Q350-I357 PolarHBondContact NE2-O 3.39Å; V355-I357 HydrophobicContact CG2-CD1 4.27Å; V355-I357 HydrophobicContact CG2-CG1 4.01Å; I357-A371 HydrophobicContact CG2-CB 4.25Å; I357-H372 CarbonylContact C-O 3.56Å; I357-H372 WeakPolarHBondContact CA-O 3.44Å; I357-I373 HydrophobicContact CG1-CG1 4.26Å; I357-I373 HydrophobicContact CG1-CG2 4.2Å; I357-I373 HydrophobicContact CG2-CG1 4.45Å; I357-I387 HydrophobicContact CD1-CD1 4.22Å |
| 358 | Q | 89.9 | Confident | 84.4 | Confident | 118 Ų | 118 | 77.8 Ų | 77.8 | 55% | 0.551 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 113.3 | -178.1 | -178.6 | 61.5 | 49.6 | 0 | 0 | 109.4 | K360 H372 M374 | Q358-K360 PolarHBondContact O-N 3.01Å; Q358-H372 PolarHBondContact N-O 3.33Å; Q358-H372 WeakPolarHBondContact O-CA 3.34Å; Q358-H372 WeakPolarHBondContact O-CB 3.46Å; Q358-H372 PolarHBondContact O-N 3.45Å; Q358-M374 HydrophobicContact CB-CE 3.73Å |
| 359 | F | 89.9 | Confident | 84.2 | Confident | 23 Ų | 23 | 75 Ų | 75 | 10% | 0.101 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 128.7 | 169.2 | -75.5 | -89.4 | 0 | 0 | 0 | 109.4 | V330 V335 V338 I339 I346 K369 I370 A371 | V330-F359 HydrophobicContact CB-CE1 3.97Å; V330-F359 HydrophobicContact CG1-CE1 4.13Å; V330-F359 HydrophobicContact CG1-CZ 4.49Å; V330-F359 HydrophobicContact CG2-CE1 3.9Å; V330-F359 HydrophobicContact CG2-CZ 4.34Å; V335-F359 HydrophobicContact CG1-CD1 4.18Å; V335-F359 HydrophobicContact CG1-CE1 3.95Å; V335-F359 HydrophobicContact CG1-CZ 4.27Å; V335-F359 HydrophobicContact CG2-CE1 4.14Å; V338-F359 HydrophobicContact CB-CZ 4.17Å; V338-F359 HydrophobicContact CG1-CE2 4.39Å; V338-F359 HydrophobicContact CG1-CZ 3.85Å; I339-F359 HydrophobicContact CD1-CD2 4Å; I339-F359 HydrophobicContact CD1-CE2 4.08Å; I339-F359 HydrophobicContact CG1-CD2 3.9Å; I339-F359 HydrophobicContact CG1-CE2 3.52Å; I339-F359 HydrophobicContact CG1-CZ 4.17Å; I346-F359 HydrophobicContact CD1-CD2 4.01Å; I346-F359 HydrophobicContact CD1-CE2 3.84Å; F359-K369 HydrophobicContact CD1-CD 4.43Å; F359-K369 HydrophobicContact CD1-CG 4.23Å; F359-I370 WeakPolarHBondContact CA-O 3.39Å; F359-A371 HydrophobicContact CD1-CB 3.91Å; F359-A371 HydrophobicContact CE1-CB 3.62Å; F359-A371 HydrophobicContact CE2-CB 4.44Å; F359-A371 HydrophobicContact CG-CB 4.47Å; F359-A371 HydrophobicContact CZ-CB 3.91Å |
| 360 | K | 83 | Confident | 84 | Confident | 80 Ų | 80 | 77.3 Ų | 77.3 | 35% | 0.348 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 153.3 | 171.4 | -76.5 | 174 | 173.4 | 164.1 | 0 | 109.8 | D327 Q358 K369 I370 | D327-K360 IonicContact OD1-NZ 3.88Å; D327-K360 PolarHBondContact OD1-NZ 2.93Å; D327-K360 IonicContact OD2-NZ 2.67Å; D327-K360 PolarHBondContact OD2-NZ 3.21Å; Q358-K360 PolarHBondContact O-N 3.01Å; K360-K369 WeakPolarHBondContact O-CE 3.44Å; K360-I370 HydrophobicContact CB-CB 4.48Å; K360-I370 HydrophobicContact CD-CB 4.17Å; K360-I370 HydrophobicContact CD-CG2 4.02Å; K360-I370 PolarHBondContact N-O 3Å |
| 361 | Q | 72.2 | Confident | 83.9 | Confident | 196 Ų | 196 | 74.9 Ų | 74.9 | 92% | 0.916 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 145.4 | 161.2 | -76.7 | 175.2 | -24.9 | 0 | 0 | 108 | ||
| 362 | D | 70.9 | Confident | 83.8 | Confident | 49 Ų | 49 | 70.4 Ų | 70.4 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | trans | -137.7 | 125 | -162.4 | 162.1 | 28.1 | 0 | 0 | 0 | 107.1 | R332 G364 K369 | R332-D362 IonicContact CZ-OD1 2.87Å; R332-D362 IonicContact CZ-OD2 3.15Å; R332-D362 IonicContact NE-OD1 2.7Å; R332-D362 IonicContact NE-OD2 2.75Å; R332-D362 PolarHBondContact NE-OD2 2.78Å; R332-D362 VanDerWaalsContact NH2-CG 3.27Å; R332-D362 IonicContact NH2-OD1 3.4Å; R332-D362 PolarHBondContact NH2-OD1 3.12Å; R332-D362 IonicContact NH2-OD2 3.11Å; R332-D362 PolarHBondContact NH2-OD2 3.13Å; D362-G364 PolarHBondContact O-N 3.2Å; D362-K369 HydrophobicContact CB-CD 3.96Å; D362-K369 HydrophobicContact CB-CG 3.8Å | ||
| 363 | D | 66.1 | Low | 83.8 | Confident | 146 Ų | 146 | 66 Ų | 66 | 78% | 0.781 | 36% | 0.356 | S | S | * | . | trans | -74.2 | 14 | -160.7 | -60.3 | -49.6 | 0 | 0 | 0 | 114.5 | T365 | D363-T365 PolarHBondContact O-N 2.94Å; D363-T365 VanDerWaalsContact O-N 3.12Å | ||
| 364 | G | 65.6 | Low | 83.8 | Confident | 55 Ų | 55 | 68.3 Ų | 68.3 | 57% | 0.567 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 75.2 | -5.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R332 D362 | R332-G364 VanDerWaalsContact CZ-C 3.48Å; R332-G364 PolarHBondContact NH1-O 3.21Å; D362-G364 PolarHBondContact O-N 3.2Å |
| 365 | T | 72.1 | Confident | 83.7 | Confident | 129 Ų | 129 | 68.2 Ų | 68.2 | 79% | 0.791 | 37% | 0.365 | S | S | * | . | trans | -96.8 | -44.3 | -176.1 | 53.2 | 0 | 0 | 0 | 0 | 116.2 | D363 | D363-T365 PolarHBondContact O-N 2.94Å; D363-T365 VanDerWaalsContact O-N 3.12Å | ||
| 366 | G | 72.2 | Confident | 83.5 | Confident | 25 Ų | 25 | 70.6 Ų | 70.6 | 26% | 0.258 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -73.3 | 157.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | R332 E368 | R332-G366 WeakPolarHBondContact CD-O 3.33Å; R332-G366 PolarHBondContact NE-O 2.87Å; R332-G366 PolarHBondContact NH1-O 3.14Å; R332-G366 VanDerWaalsContact NH2-N 3.18Å; R332-G366 PolarHBondContact NH2-O 3.3Å; R332-G366 VanDerWaalsContact NH2-O 3.16Å; G366-E368 PolarHBondContact O-N 3.04Å |
| 367 | P | 83.5 | Confident | 83.1 | Confident | 108 Ų | 108 | 66.5 Ų | 66.5 | 70% | 0.701 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -72.4 | -15.2 | 172.9 | 27.8 | -32.3 | 0 | 0 | 0 | 113.7 | R332 | R332-P367 PolarHBondContact N-O 3.38Š|
| 368 | E | 85.6 | Confident | 83 | Confident | 86 Ų | 86 | 72.2 Ų | 72.2 | 40% | 0.402 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 157.3 | -170 | -60.4 | -175.7 | 154.6 | 0 | 0 | 111.2 | P329 P331 G366 | P329-E368 HydrophobicContact CB-CB 4.45Å; P329-E368 WeakPolarHBondContact CB-OE2 3.5Å; P331-E368 HydrophobicContact CG-CG 4.48Å; G366-E368 PolarHBondContact O-N 3.04Å |
| 369 | K | 88.3 | Confident | 83.1 | Confident | 58 Ų | 58 | 72.8 Ų | 72.8 | 25% | 0.252 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 130.6 | -176.5 | -173 | 166.5 | -171 | 172 | 0 | 109.7 | V330 R332 V335 F359 K360 D362 | V330-K369 WeakPolarHBondContact CB-O 3.42Å; V330-K369 PolarHBondContact N-O 3.17Å; V330-K369 PolarHBondContact O-N 2.99Å; R332-K369 HydrophobicContact CG-CB 4.35Å; V335-K369 HydrophobicContact CG1-CD 4.32Å; V335-K369 HydrophobicContact CG2-CB 3.78Å; V335-K369 HydrophobicContact CG2-CD 4.11Å; V335-K369 HydrophobicContact CG2-CG 4.37Å; F359-K369 HydrophobicContact CD1-CD 4.43Å; F359-K369 HydrophobicContact CD1-CG 4.23Å; K360-K369 WeakPolarHBondContact O-CE 3.44Å; D362-K369 HydrophobicContact CB-CD 3.96Å; D362-K369 HydrophobicContact CB-CG 3.8Å |
| 370 | I | 88.6 | Confident | 83.2 | Confident | 50 Ų | 50 | 71.7 Ų | 71.7 | 26% | 0.256 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 124.5 | -172.4 | -56.8 | 175 | 0 | 0 | 0 | 111.2 | D327 F359 K360 | D327-I370 HydrophobicContact CB-CG2 3.64Å; D327-I370 WeakPolarHBondContact OD1-CG2 2.94Å; F359-I370 WeakPolarHBondContact CA-O 3.39Å; K360-I370 HydrophobicContact CB-CB 4.48Å; K360-I370 HydrophobicContact CD-CB 4.17Å; K360-I370 HydrophobicContact CD-CG2 4.02Å; K360-I370 PolarHBondContact N-O 3Å |
| 371 | A | 90.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 108.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | V328 V330 I357 F359 | V328-A371 PolarHBondContact N-O 3.46Å; V328-A371 PolarHBondContact O-N 2.88Å; V330-A371 HydrophobicContact CG2-CB 3.79Å; I357-A371 HydrophobicContact CG2-CB 4.25Å; F359-A371 HydrophobicContact CD1-CB 3.91Å; F359-A371 HydrophobicContact CE1-CB 3.62Å; F359-A371 HydrophobicContact CE2-CB 4.44Å; F359-A371 HydrophobicContact CG-CB 4.47Å; F359-A371 HydrophobicContact CZ-CB 3.91Å |
| 372 | H | 91.5 | Very high | 84.5 | Confident | 33 Ų | 33 | 67.3 Ų | 67.3 | 15% | 0.153 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 111.3 | 178.5 | -170.3 | 63.8 | 0 | 0 | 0 | 110.7 | D327 I357 Q358 M374 | D327-H372 WeakPolarHBondContact OD1-CB 3.12Å; D327-H372 IonicContact OD1-CE1 3.38Å; D327-H372 IonicContact OD1-CG 3.15Å; D327-H372 IonicContact OD1-ND1 2.69Å; D327-H372 PolarHBondContact OD1-ND1 3.46Å; I357-H372 CarbonylContact C-O 3.56Å; I357-H372 WeakPolarHBondContact CA-O 3.44Å; Q358-H372 PolarHBondContact N-O 3.33Å; Q358-H372 WeakPolarHBondContact O-CA 3.34Å; Q358-H372 WeakPolarHBondContact O-CB 3.46Å; Q358-H372 PolarHBondContact O-N 3.45Å; H372-M374 WeakPolarHBondContact CD2-CG 3.47Å; H372-M374 WeakPolarHBondContact NE2-CG 3.5Å |
| 373 | I | 92.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 108.8 | -178.2 | -50.1 | -177.8 | 0 | 0 | 0 | 109.1 | G325 I326 V328 V355 R356 I357 C380 A383 A384 I387 | G325-I373 CarbonylContact C-O 3.58Å; G325-I373 WeakPolarHBondContact CA-O 3.43Å; I326-I373 PolarHBondContact N-O 3.49Å; I326-I373 PolarHBondContact O-N 3.13Å; V328-I373 HydrophobicContact CB-CD1 4.42Å; V328-I373 HydrophobicContact CG2-CD1 3.56Å; V328-I373 HydrophobicContact CG2-CG1 4.25Å; V355-I373 HydrophobicContact CB-CG2 3.99Å; V355-I373 HydrophobicContact CG1-CG2 4.29Å; V355-I373 HydrophobicContact CG2-CG2 3.8Å; R356-I373 CarbonylContact O-C 3.55Å; R356-I373 WeakPolarHBondContact O-CA 3.4Å; I357-I373 HydrophobicContact CG1-CG1 4.26Å; I357-I373 HydrophobicContact CG1-CG2 4.2Å; I357-I373 HydrophobicContact CG2-CG1 4.45Å; I373-C380 HydrophobicContact CG2-CB 3.93Å; I373-A383 HydrophobicContact CD1-CB 4.14Å; I373-A383 HydrophobicContact CG2-CB 3.92Å; I373-A384 HydrophobicContact CD1-CB 3.95Å; I373-I387 HydrophobicContact CD1-CD1 3.85Å; I373-I387 HydrophobicContact CG1-CD1 4.43Å |
| 374 | M | 90.7 | Very high | 86.9 | Confident | 55 Ų | 55 | 58.7 Ų | 58.7 | 27% | 0.271 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 134.8 | 179.5 | -63.1 | 162.9 | -78.4 | 0 | 0 | 112.1 | G324 V355 R356 Q358 H372 | G324-M374 CarbonylContact O-C 3.54Å; G324-M374 WeakPolarHBondContact O-CA 3.46Å; V355-M374 WeakPolarHBondContact CB-O 3.36Å; R356-M374 HydrophobicContact CB-CB 4.4Å; R356-M374 HydrophobicContact CB-CE 4.14Å; R356-M374 PolarHBondContact N-O 3.14Å; R356-M374 PolarHBondContact O-N 3.49Å; Q358-M374 HydrophobicContact CB-CE 3.73Å; H372-M374 WeakPolarHBondContact CD2-CG 3.47Å; H372-M374 WeakPolarHBondContact NE2-CG 3.5Å |
| 375 | G | 87.5 | Confident | 88.2 | Confident | 28 Ų | 28 | 62.8 Ų | 62.8 | 29% | 0.289 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 154.4 | -168 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G324 C380 | G324-G375 PolarHBondContact O-N 3.18Å; G375-C380 VanDerWaalsContact CA-SG 3.58Å; G375-C380 PolarHBondContact N-SG 3.21Å; G375-C380 PolarHBondContact O-SG 3.35Å; G375-C380 VanDerWaalsContact O-SG 3.38Å |
| 376 | P | 88.3 | Confident | 89.2 | Confident | 62 Ų | 62 | 58.6 Ų | 58.6 | 40% | 0.403 | 31% | 0.307 | S | S | . | . | trans | -59.8 | 143.4 | 172.3 | -23.9 | 36.1 | 0 | 0 | 0 | 111.3 | D378 R379 C380 | P376-D378 PolarHBondContact O-N 3.06Å; P376-R379 HydrophobicContact CB-CB 4.32Å; P376-R379 HydrophobicContact CB-CG 4.29Å; P376-R379 WeakPolarHBondContact O-CB 3.38Å; P376-R379 PolarHBondContact O-N 2.57Å; P376-R379 VanDerWaalsContact O-N 3.1Å; P376-C380 PolarHBondContact O-N 2.95Å; P376-C380 PolarHBondContact O-SG 3.43Å | ||
| 377 | P | 84.9 | Confident | 90.1 | Very high | 89 Ų | 89 | 57.4 Ų | 57.4 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.1 | -47.3 | -171 | 21.7 | -32.5 | 0 | 0 | 0 | 112.8 | R379 C380 E381 | P377-R379 PolarHBondContact O-N 3.23Å; P377-C380 PolarHBondContact O-N 3.37Å; P377-C380 VanDerWaalsContact O-N 3.12Å; P377-E381 PolarHBondContact O-N 3.35Å |
| 378 | D | 88.3 | Confident | 90.5 | Very high | 126 Ų | 126 | 55.5 Ų | 55.5 | 67% | 0.674 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.9 | -35.1 | 179.9 | -40.6 | -91.3 | 0 | 0 | 0 | 112.3 | P376 H382 | P376-D378 PolarHBondContact O-N 3.06Å; D378-H382 PolarHBondContact O-N 3.42Å; D378-H382 VanDerWaalsContact O-N 3.14Å |
| 379 | R | 92.5 | Very high | 90.8 | Very high | 131 Ų | 131 | 56 Ų | 56 | 49% | 0.494 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -77.4 | -36.6 | 178.5 | -69.8 | -174 | 179.4 | -157 | -2.6 | 112.1 | A353 G354 V355 P376 P377 E381 H382 A383 | A353-R379 WeakPolarHBondContact O-CB 3.35Å; A353-R379 VanDerWaalsContact O-CD 3.29Å; A353-R379 WeakPolarHBondContact O-CD 3.31Å; A353-R379 WeakPolarHBondContact O-CG 3.4Å; G354-R379 PolarHBondContact O-NH1 3.49Å; V355-R379 HydrophobicContact CG1-CB 3.6Å; P376-R379 HydrophobicContact CB-CB 4.32Å; P376-R379 HydrophobicContact CB-CG 4.29Å; P376-R379 WeakPolarHBondContact O-CB 3.38Å; P376-R379 PolarHBondContact O-N 2.57Å; P376-R379 VanDerWaalsContact O-N 3.1Å; P377-R379 PolarHBondContact O-N 3.23Å; R379-E381 VanDerWaalsContact C-N 3.34Å; R379-H382 PolarHBondContact O-N 2.9Å; R379-A383 PolarHBondContact O-N 3.36Å |
| 380 | C | 91.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 174.8 | -63 | 0 | 0 | 0 | 0 | 111 | I326 I373 G375 P376 P377 A383 A384 | I326-C380 HydrophobicContact CB-CB 4.35Å; I326-C380 HydrophobicContact CD1-CB 3.46Å; I326-C380 VanDerWaalsContact CD1-CB 3.46Å; I326-C380 HydrophobicContact CG1-CB 3.73Å; I373-C380 HydrophobicContact CG2-CB 3.93Å; G375-C380 VanDerWaalsContact CA-SG 3.58Å; G375-C380 PolarHBondContact N-SG 3.21Å; G375-C380 PolarHBondContact O-SG 3.35Å; G375-C380 VanDerWaalsContact O-SG 3.38Å; P376-C380 PolarHBondContact O-N 2.95Å; P376-C380 PolarHBondContact O-SG 3.43Å; P377-C380 PolarHBondContact O-N 3.37Å; P377-C380 VanDerWaalsContact O-N 3.12Å; C380-A383 PolarHBondContact O-N 2.91Å; C380-A384 WeakPolarHBondContact O-CB 3.46Å; C380-A384 PolarHBondContact O-N 3.23Å |
| 381 | E | 90.6 | Very high | 90.9 | Very high | 91 Ų | 91 | 52.6 Ų | 52.6 | 43% | 0.425 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 171.7 | -72.8 | -170 | -163.3 | 0 | 0 | 112.5 | I326 P377 R379 A383 A384 R385 | I326-E381 HydrophobicContact CD1-CG 3.96Å; P377-E381 PolarHBondContact O-N 3.35Å; R379-E381 VanDerWaalsContact C-N 3.34Å; E381-A383 PolarHBondContact O-N 2.68Å; E381-A384 PolarHBondContact O-N 2.7Å; E381-R385 WeakPolarHBondContact O-CG 3.41Å; E381-R385 PolarHBondContact O-N 3.49Å; E381-R385 IonicContact OE2-NH2 2.87Å; E381-R385 PolarHBondContact OE2-NH2 3.34Å |
| 382 | H | 93.2 | Very high | 90.8 | Very high | 93 Ų | 93 | 58 Ų | 58 | 43% | 0.431 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 176.4 | -173.4 | 55.8 | 0 | 0 | 0 | 111.9 | D378 R379 R385 I386 | D378-H382 PolarHBondContact O-N 3.42Å; D378-H382 VanDerWaalsContact O-N 3.14Å; R379-H382 PolarHBondContact O-N 2.9Å; H382-R385 PolarHBondContact O-N 3.41Å; H382-I386 WeakPolarHBondContact O-CG1 3.15Å; H382-I386 PolarHBondContact O-N 2.78Å; H382-I386 VanDerWaalsContact O-N 3.11Å |
| 383 | A | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I349 A353 V355 I373 R379 C380 E381 R385 I386 I387 | I349-A383 HydrophobicContact CG2-CB 4.32Å; A353-A383 HydrophobicContact CB-CB 3.71Å; V355-A383 HydrophobicContact CG2-CB 3.62Å; I373-A383 HydrophobicContact CD1-CB 4.14Å; I373-A383 HydrophobicContact CG2-CB 3.92Å; R379-A383 PolarHBondContact O-N 3.36Å; C380-A383 PolarHBondContact O-N 2.91Å; E381-A383 PolarHBondContact O-N 2.68Å; A383-R385 VanDerWaalsContact C-N 3.3Å; A383-R385 PolarHBondContact O-N 3.25Å; A383-I386 PolarHBondContact O-N 3.16Å; A383-I387 WeakPolarHBondContact O-CG1 3.43Å; A383-I387 PolarHBondContact O-N 2.88Å |
| 384 | A | 93 | Very high | 89.8 | Confident | 14 Ų | 14 | 63.3 Ų | 63.3 | 12% | 0.116 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V328 I373 C380 E381 N388 | V328-A384 HydrophobicContact CG2-CB 3.73Å; I373-A384 HydrophobicContact CD1-CB 3.95Å; C380-A384 WeakPolarHBondContact O-CB 3.46Å; C380-A384 PolarHBondContact O-N 3.23Å; E381-A384 PolarHBondContact O-N 2.7Å; A384-N388 WeakPolarHBondContact O-CB 3.35Å; A384-N388 PolarHBondContact O-N 3.34Å; A384-N388 PolarHBondContact O-ND2 3.11Å |
| 385 | R | 93.7 | Very high | 88.8 | Confident | 141 Ų | 141 | 68.9 Ų | 68.9 | 53% | 0.532 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.9 | -48.7 | 173.3 | -66.7 | 171.3 | -150.6 | 173.4 | 8.5 | 111.2 | E381 H382 A383 I387 N388 D389 | E381-R385 WeakPolarHBondContact O-CG 3.41Å; E381-R385 PolarHBondContact O-N 3.49Å; E381-R385 IonicContact OE2-NH2 2.87Å; E381-R385 PolarHBondContact OE2-NH2 3.34Å; H382-R385 PolarHBondContact O-N 3.41Å; A383-R385 VanDerWaalsContact C-N 3.3Å; A383-R385 PolarHBondContact O-N 3.25Å; R385-I387 VanDerWaalsContact C-N 3.29Å; R385-I387 PolarHBondContact O-N 2.78Å; R385-N388 CarbonylContact O-C 3.25Å; R385-N388 PolarHBondContact O-N 2.81Å; R385-D389 VanDerWaalsContact O-CG 3.26Å; R385-D389 PolarHBondContact O-N 3.41Å |
| 386 | I | 93 | Very high | 87.4 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 21% | 0.21 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.8 | -40.2 | 177.9 | -61.9 | 163.3 | 0 | 0 | 0 | 112 | I349 A353 H382 A383 L390 | I349-I386 HydrophobicContact CD1-CG2 4.21Å; I349-I386 HydrophobicContact CG1-CG2 3.82Å; I349-I386 HydrophobicContact CG2-CB 4.25Å; I349-I386 HydrophobicContact CG2-CD1 4.48Å; I349-I386 HydrophobicContact CG2-CG2 4.09Å; A353-I386 HydrophobicContact CB-CD1 4.45Å; H382-I386 WeakPolarHBondContact O-CG1 3.15Å; H382-I386 PolarHBondContact O-N 2.78Å; H382-I386 VanDerWaalsContact O-N 3.11Å; A383-I386 PolarHBondContact O-N 3.16Å; I386-L390 WeakPolarHBondContact O-CB 3.5Å; I386-L390 PolarHBondContact O-N 3.34Å; I386-L390 VanDerWaalsContact O-N 3.11Å |
| 387 | I | 92.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 174.7 | -65.6 | 173 | 0 | 0 | 0 | 110.7 | V328 V330 V338 I349 I357 I373 A383 R385 L390 L391 | V328-I387 HydrophobicContact CG1-CG2 4.15Å; V330-I387 HydrophobicContact CG2-CG2 3.94Å; V338-I387 HydrophobicContact CG1-CD1 4.42Å; V338-I387 HydrophobicContact CG1-CG1 4.08Å; V338-I387 HydrophobicContact CG1-CG2 4.14Å; V338-I387 HydrophobicContact CG2-CG2 4.28Å; I349-I387 HydrophobicContact CD1-CG1 4.33Å; I349-I387 HydrophobicContact CG2-CG1 4.46Å; I357-I387 HydrophobicContact CD1-CD1 4.22Å; I373-I387 HydrophobicContact CD1-CD1 3.85Å; I373-I387 HydrophobicContact CG1-CD1 4.43Å; A383-I387 WeakPolarHBondContact O-CG1 3.43Å; A383-I387 PolarHBondContact O-N 2.88Å; R385-I387 VanDerWaalsContact C-N 3.29Å; R385-I387 PolarHBondContact O-N 2.78Å; I387-L390 PolarHBondContact O-N 2.73Å; I387-L391 HydrophobicContact CG2-CD1 4.14Å; I387-L391 HydrophobicContact CG2-CG 4.44Å; I387-L391 VanDerWaalsContact O-CG 3.3Å; I387-L391 WeakPolarHBondContact O-CG 3.49Å; I387-L391 PolarHBondContact O-N 3.48Å |
| 388 | N | 92 | Very high | 83.8 | Confident | 67 Ų | 67 | 72.6 Ų | 72.6 | 36% | 0.358 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 179.1 | -85 | -75.8 | 0 | 0 | 0 | 112.8 | A384 R385 L390 L391 Q392 | A384-N388 WeakPolarHBondContact O-CB 3.35Å; A384-N388 PolarHBondContact O-N 3.34Å; A384-N388 PolarHBondContact O-ND2 3.11Å; R385-N388 CarbonylContact O-C 3.25Å; R385-N388 PolarHBondContact O-N 2.81Å; N388-L390 VanDerWaalsContact C-N 3.34Å; N388-L391 CarbonylContact O-C 3.56Å; N388-L391 WeakPolarHBondContact O-CB 3.2Å; N388-L391 PolarHBondContact O-N 3.15Å; N388-Q392 WeakPolarHBondContact O-CB 3.4Å; N388-Q392 VanDerWaalsContact O-CG 3.31Å; N388-Q392 WeakPolarHBondContact O-CG 3.3Å; N388-Q392 PolarHBondContact O-N 2.87Å |
| 389 | D | 91.6 | Very high | 81.7 | Confident | 96 Ų | 96 | 72.5 Ų | 72.5 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 176.1 | -64.7 | -19.9 | 0 | 0 | 0 | 110.8 | R385 L391 Q392 S393 | R385-D389 VanDerWaalsContact O-CG 3.26Å; R385-D389 PolarHBondContact O-N 3.41Å; D389-L391 PolarHBondContact O-N 3.47Å; D389-Q392 PolarHBondContact O-N 2.83Å; D389-S393 PolarHBondContact O-N 2.98Å |
| 390 | L | 90.2 | Very high | 79.4 | Confident | 28 Ų | 28 | 69.3 Ų | 69.3 | 15% | 0.147 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | 172.9 | -173.4 | 60.9 | 0 | 0 | 0 | 111.5 | V337 V338 M345 I386 I387 N388 S393 L394 | V337-L390 HydrophobicContact CG1-CD1 4.13Å; V337-L390 HydrophobicContact CG1-CD2 4.39Å; V337-L390 HydrophobicContact CG1-CG 4.33Å; V338-L390 HydrophobicContact CB-CD2 4.41Å; V338-L390 HydrophobicContact CG2-CD2 4.09Å; M345-L390 HydrophobicContact CE-CD1 4.15Å; M345-L390 HydrophobicContact CE-CD2 3.8Å; M345-L390 HydrophobicContact CG-CD2 4.09Å; I386-L390 WeakPolarHBondContact O-CB 3.5Å; I386-L390 PolarHBondContact O-N 3.34Å; I386-L390 VanDerWaalsContact O-N 3.11Å; I387-L390 PolarHBondContact O-N 2.73Å; N388-L390 VanDerWaalsContact C-N 3.34Å; L390-S393 PolarHBondContact O-N 3.15Å; L390-S393 PolarHBondContact O-OG 3.15Å; L390-L394 WeakPolarHBondContact O-CG 3.38Å; L390-L394 PolarHBondContact O-N 3.39Å |
| 391 | L | 89.1 | Confident | 77.6 | Confident | 10 Ų | 10 | 75 Ų | 75 | 5% | 0.052 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 174.6 | -70.3 | 177.5 | 0 | 0 | 0 | 113.1 | V330 V338 I387 N388 D389 L394 R395 | V330-L391 HydrophobicContact CG1-CD1 4.42Å; V330-L391 HydrophobicContact CG1-CD2 4.1Å; V338-L391 HydrophobicContact CG2-CD2 4.19Å; I387-L391 HydrophobicContact CG2-CD1 4.14Å; I387-L391 HydrophobicContact CG2-CG 4.44Å; I387-L391 VanDerWaalsContact O-CG 3.3Å; I387-L391 WeakPolarHBondContact O-CG 3.49Å; I387-L391 PolarHBondContact O-N 3.48Å; N388-L391 CarbonylContact O-C 3.56Å; N388-L391 WeakPolarHBondContact O-CB 3.2Å; N388-L391 PolarHBondContact O-N 3.15Å; D389-L391 PolarHBondContact O-N 3.47Å; L391-L394 PolarHBondContact O-N 3.36Å; L391-R395 PolarHBondContact O-N 2.89Å; L391-R395 VanDerWaalsContact O-N 3.15Å |
| 392 | Q | 87.9 | Confident | 75.6 | Confident | 114 Ų | 114 | 76.8 Ų | 76.8 | 53% | 0.533 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 176.4 | -74.4 | 175.1 | 49.8 | 0 | 0 | 111 | N388 D389 L394 R395 S396 | N388-Q392 WeakPolarHBondContact O-CB 3.4Å; N388-Q392 VanDerWaalsContact O-CG 3.31Å; N388-Q392 WeakPolarHBondContact O-CG 3.3Å; N388-Q392 PolarHBondContact O-N 2.87Å; D389-Q392 PolarHBondContact O-N 2.83Å; Q392-L394 PolarHBondContact O-N 3.49Å; Q392-L394 VanDerWaalsContact O-N 3.15Å; Q392-R395 CarbonylContact O-C 3.51Å; Q392-R395 PolarHBondContact O-N 3.21Å; Q392-S396 PolarHBondContact O-N 3Å; Q392-S396 PolarHBondContact O-OG 3.02Å |
| 393 | S | 85.2 | Confident | 73 | Confident | 69 Ų | 69 | 75.9 Ų | 75.9 | 48% | 0.483 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.2 | -26.7 | 176.6 | 74.5 | 0 | 0 | 0 | 0 | 114 | D389 L390 S396 | D389-S393 PolarHBondContact O-N 2.98Å; L390-S393 PolarHBondContact O-N 3.15Å; L390-S393 PolarHBondContact O-OG 3.15Å; S393-S396 WeakPolarHBondContact CA-OG 3.4Å; S393-S396 PolarHBondContact O-OG 3.3Å |
| 394 | L | 76.4 | Confident | 70.9 | Confident | 75 Ų | 75 | 80.5 Ų | 80.5 | 39% | 0.393 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -81.7 | -32.8 | 174.3 | -66 | 168.4 | 0 | 0 | 0 | 112.6 | V337 L390 L391 Q392 | V337-L394 HydrophobicContact CB-CD1 3.81Å; V337-L394 HydrophobicContact CG1-CD1 3.94Å; V337-L394 HydrophobicContact CG1-CD2 4.28Å; V337-L394 HydrophobicContact CG2-CD1 3.83Å; V337-L394 HydrophobicContact CG2-CD2 4.17Å; L390-L394 WeakPolarHBondContact O-CG 3.38Å; L390-L394 PolarHBondContact O-N 3.39Å; L391-L394 PolarHBondContact O-N 3.36Å; Q392-L394 PolarHBondContact O-N 3.49Å; Q392-L394 VanDerWaalsContact O-N 3.15Å |
| 395 | R | 70.1 | Confident | 68.6 | Low | 171 Ų | 171 | 86.1 Ų | 86.1 | 65% | 0.645 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -76.3 | -30.6 | 174.6 | -72.6 | -176.5 | -179.2 | -126.7 | 8.5 | 112.4 | L391 Q392 G397 | L391-R395 PolarHBondContact O-N 2.89Å; L391-R395 VanDerWaalsContact O-N 3.15Å; Q392-R395 CarbonylContact O-C 3.51Å; Q392-R395 PolarHBondContact O-N 3.21Å; R395-G397 PolarHBondContact O-N 2.81Å; R395-G397 VanDerWaalsContact O-N 3.17Å |
| 396 | S | 59.2 | Low | 66.1 | Low | 91 Ų | 91 | 82.9 Ų | 82.9 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 26.9 | 176.1 | 69.2 | 0 | 0 | 0 | 0 | 113.4 | Q392 S393 | Q392-S396 PolarHBondContact O-N 3Å; Q392-S396 PolarHBondContact O-OG 3.02Å; S393-S396 WeakPolarHBondContact CA-OG 3.4Å; S393-S396 PolarHBondContact O-OG 3.3Å |
| 397 | G | 49.5 | Very low | 64.1 | Low | 42 Ų | 42 | 89.8 Ų | 89.8 | 43% | 0.433 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -55.1 | 149.1 | 155 | 0 | 0 | 0 | 0 | 0 | 109.4 | R395 | R395-G397 PolarHBondContact O-N 2.81Å; R395-G397 VanDerWaalsContact O-N 3.17Å |
| 398 | P | 48.2 | Very low | 62 | Low | 125 Ų | 125 | 94.9 Ų | 94.9 | 81% | 0.812 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 137.5 | -172.1 | 22.4 | -33.4 | 0 | 0 | 0 | 110.8 | G400 | P398-G400 PolarHBondContact O-N 2.8Å; P398-G400 VanDerWaalsContact O-N 3.09Å |
| 399 | P | 44.2 | Very low | 59.6 | Low | 124 Ų | 124 | 98.3 Ų | 98.3 | 81% | 0.805 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 119.9 | -178.7 | 24.4 | -33.3 | 0 | 0 | 0 | 109.2 | ||
| 400 | G | 42.7 | Very low | 57.2 | Low | 64 Ų | 64 | 97.7 Ų | 97.7 | 66% | 0.66 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 132.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | P398 | P398-G400 PolarHBondContact O-N 2.8Å; P398-G400 VanDerWaalsContact O-N 3.09Å |
| 401 | P | 54.6 | Low | 54.9 | Low | 119 Ų | 119 | 100.2 Ų | 100.2 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 135.6 | -178.6 | 23.6 | -32.8 | 0 | 0 | 0 | 109.8 | G403 | P401-G403 PolarHBondContact O-N 3.49Š|
| 402 | P | 49.2 | Very low | 52.5 | Low | 128 Ų | 128 | 112 Ų | 112 | 83% | 0.831 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 134.1 | -177.9 | 23.9 | -33.2 | 0 | 0 | 0 | 110.3 | A404 | P402-A404 PolarHBondContact O-N 3.2Å; P402-A404 VanDerWaalsContact O-N 3.15Å |
| 403 | G | 38.4 | Very low | 50.2 | Low | 75 Ų | 75 | 110.2 Ų | 110.2 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -61.4 | 115.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P401 P405 | P401-G403 PolarHBondContact O-N 3.49Å; G403-P405 WeakPolarHBondContact O-CD 3.47Å | ||
| 404 | A | 48.5 | Very low | 48 | Very low | 97 Ų | 97 | 119.6 Ų | 119.6 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -77.2 | 121.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P402 G406 | P402-A404 PolarHBondContact O-N 3.2Å; P402-A404 VanDerWaalsContact O-N 3.15Å; A404-G406 PolarHBondContact O-N 2.81Å | ||
| 405 | P | 44.9 | Very low | 46.3 | Very low | 131 Ų | 131 | 119.5 Ų | 119.5 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -76.2 | 121.2 | -179.3 | -14.4 | 29.9 | 0 | 0 | 0 | 112.3 | G403 | G403-P405 WeakPolarHBondContact O-CD 3.47Š| ||
| 406 | G | 40.5 | Very low | 44.6 | Very low | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | 87.2 | 109.8 | 152.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | A404 | A404-G406 PolarHBondContact O-N 2.81Š| ||
| 407 | M | 51.3 | Low | 43.5 | Very low | 186 Ų | 186 | 122.9 Ų | 122.9 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -159.6 | 138.7 | 130.3 | -149.6 | 52.1 | 117 | 0 | 0 | 109.9 | ||||
| 408 | P | 47.4 | Very low | 43 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | trans | -80.7 | 165.8 | -169.2 | 31.5 | -36.2 | 0 | 0 | 0 | 114.7 | ||||
| 409 | P | 42.3 | Very low | 42.3 | Very low | 138 Ų | 138 | 126.5 Ų | 126.5 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | trans | -86.8 | 130.1 | -168.3 | 33.3 | -34.5 | 0 | 0 | 0 | 113.8 | ||||
| 410 | G | 41.3 | Very low | 42.1 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | 170.4 | 144.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 411 | G | 41.8 | Very low | 41.6 | Very low | 81 Ų | 81 | 137 Ų | 137 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | 128.9 | 89.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 412 | R | 39.7 | Very low | 41.1 | Very low | 259 Ų | 259 | 134 Ų | 134 | 98% | 0.977 | 82% | 0.819 | S | S | * | * | trans | -51.2 | 144.3 | 163.2 | -66.7 | 165.7 | 167.5 | 157.1 | -5.4 | 112 | ||||
| 413 | G | 39.8 | Very low | 41.1 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | -170.8 | 111.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 414 | R | 37.8 | Very low | 41.5 | Very low | 266 Ų | 266 | 136.4 Ų | 136.4 | 100% | 1.004 | 82% | 0.821 | S | S | * | * | trans | -74.5 | 129.1 | 175.2 | -73.1 | -179.8 | 173.7 | 179.6 | -2.2 | 110.4 | ||||
| 415 | G | 40.3 | Very low | 41.8 | Very low | 73 Ų | 73 | 134.5 Ų | 134.5 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -136.2 | 123.1 | 165 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 416 | R | 36 | Very low | 42.7 | Very low | 264 Ų | 264 | 129.3 Ų | 129.3 | 100% | 0.996 | 78% | 0.781 | S | S | * | * | trans | -69 | 127.4 | 168.6 | -81.6 | -177.3 | 172.6 | -173 | -1 | 108.5 | ||||
| 417 | G | 36 | Very low | 44.7 | Very low | 69 Ų | 69 | 131 Ų | 131 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 177.2 | 87.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G419 | G417-G419 PolarHBondContact O-N 2.87Š| ||
| 418 | Q | 39.3 | Very low | 46.2 | Very low | 200 Ų | 200 | 125.6 Ų | 125.6 | 94% | 0.935 | 74% | 0.743 | S | S | * | * | trans | 21.8 | 64.4 | 149.8 | -159.7 | 172.8 | 8.8 | 0 | 0 | 118.2 | ||||
| 419 | G | 33 | Very low | 48 | Very low | 43 Ų | 43 | 122.3 Ų | 122.3 | 44% | 0.443 | 72% | 0.72 | S | S | . | * | trans | -74.1 | 132.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | G417 | G417-G419 PolarHBondContact O-N 2.87Š| ||
| 420 | N | 39.2 | Very low | 50.1 | Low | 162 Ų | 162 | 115.8 Ų | 115.8 | 87% | 0.866 | 68% | 0.678 | S | S | * | * | cis | 58.9 | 54.5 | 34.9 | -155.2 | 81.4 | 0 | 0 | 0 | 112.7 | ||||
| 421 | W | 32.6 | Very low | 52.2 | Low | 245 Ų | 245 | 112.7 Ų | 112.7 | 93% | 0.928 | 64% | 0.643 | S | S | * | * | trans | -113.1 | 97 | 179.5 | -72 | 100.2 | 0 | 0 | 0 | 111.4 | ||||
| 422 | G | 44.9 | Very low | 54.3 | Low | 57 Ų | 57 | 108.9 Ų | 108.9 | 59% | 0.588 | 60% | 0.604 | S | S | * | * | trans | -169.1 | 123.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 423 | P | 49.2 | Very low | 56.4 | Low | 108 Ų | 108 | 97.9 Ų | 97.9 | 70% | 0.701 | 57% | 0.566 | S | S | * | * | trans | -63.3 | 151.5 | 176 | 27.7 | -34 | 0 | 0 | 0 | 110.4 | G425 | P423-G425 PolarHBondContact O-N 3.38Š| ||
| 424 | P | 46 | Very low | 58.6 | Low | 146 Ų | 146 | 96.3 Ų | 96.3 | 95% | 0.948 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -74.1 | 77.4 | 179 | 31.6 | -35 | 0 | 0 | 0 | 110.5 | ||
| 425 | G | 54.9 | Low | 60.9 | Low | 56 Ų | 56 | 90.7 Ų | 90.7 | 58% | 0.577 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 161.3 | 86.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 108 | P423 E427 | P423-G425 PolarHBondContact O-N 3.38Å; G425-E427 PolarHBondContact O-N 2.8Å |
| 426 | G | 64.2 | Low | 63.2 | Low | 22 Ų | 22 | 89.7 Ų | 89.7 | 23% | 0.227 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 118 | -164.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R479 G480 I485 | G426-R479 CarbonylContact O-C 3.54Å; G426-R479 VanDerWaalsContact O-CA 3.26Å; G426-R479 WeakPolarHBondContact O-CA 3.19Å; G426-G480 WeakPolarHBondContact CA-O 3.34Å; G426-G480 PolarHBondContact N-O 2.93Å; G426-G480 PolarHBondContact O-N 2.98Å; G426-I485 VanDerWaalsContact C-CD1 3.5Å |
| 427 | E | 81.5 | Confident | 65.6 | Low | 108 Ų | 108 | 77.6 Ų | 77.6 | 51% | 0.505 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 127.5 | 161.4 | 178.4 | 169 | -141.7 | 0 | 0 | 107.5 | G425 V477 I478 R479 | G425-E427 PolarHBondContact O-N 2.8Å; E427-V477 HydrophobicContact CG-CG1 3.78Å; E427-V477 WeakPolarHBondContact OE1-CG1 3.42Å; E427-I478 CarbonylContact C-O 3.59Å; E427-I478 WeakPolarHBondContact CA-O 3.1Å; E427-R479 HydrophobicContact CB-CG 4.11Å; E427-R479 HydrophobicContact CG-CG 3.93Å; E427-R479 IonicContact OE1-CZ 2.72Å; E427-R479 IonicContact OE1-NE 3.2Å; E427-R479 PolarHBondContact OE1-NE 3.11Å; E427-R479 IonicContact OE1-NH2 2.68Å; E427-R479 PolarHBondContact OE1-NH2 2.75Å |
| 428 | M | 84.1 | Confident | 68 | Low | 74 Ų | 74 | 76.5 Ų | 76.5 | 37% | 0.365 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 130.9 | -179 | -162.1 | 165.8 | -177.2 | 0 | 0 | 110.6 | F430 I478 I485 P502 | M428-F430 HydrophobicContact CB-CE2 3.83Å; M428-F430 HydrophobicContact CB-CZ 4.21Å; M428-F430 HydrophobicContact CE-CE1 3.88Å; M428-F430 HydrophobicContact CE-CZ 3.75Å; M428-F430 HydrophobicContact CG-CD2 4.43Å; M428-F430 HydrophobicContact CG-CE1 4.29Å; M428-F430 HydrophobicContact CG-CE2 3.6Å; M428-F430 HydrophobicContact CG-CZ 3.54Å; M428-F430 HydrophobicContact SD-CE1 4.19Å; M428-F430 HydrophobicContact SD-CE2 4.04Å; M428-F430 HydrophobicContact SD-CZ 3.43Å; M428-F430 WeakPolarHBondContact SD-CZ 3.4Å; M428-I478 PolarHBondContact N-O 3.48Å; M428-I478 PolarHBondContact O-N 3.38Å; M428-I485 HydrophobicContact CB-CG2 3.82Å; M428-I485 HydrophobicContact SD-CG2 4.07Å; M428-P502 HydrophobicContact CE-CB 3.98Å |
| 429 | T | 85.5 | Confident | 70.4 | Confident | 38 Ų | 38 | 71.8 Ų | 71.8 | 23% | 0.233 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134.1 | -177.1 | -55.9 | 0 | 0 | 0 | 0 | 110.6 | L475 F476 V477 V503 | T429-L475 HydrophobicContact CG2-CB 4.15Å; T429-L475 HydrophobicContact CG2-CD1 4.32Å; T429-L475 HydrophobicContact CG2-CD2 4.1Å; T429-L475 HydrophobicContact CG2-CG 4.42Å; T429-F476 CarbonylContact C-O 3.33Å; T429-F476 VanDerWaalsContact CA-O 3.32Å; T429-F476 WeakPolarHBondContact CA-O 3.17Å; T429-V477 HydrophobicContact CG2-CG2 4.23Å; T429-V503 HydrophobicContact CG2-CB 4.29Å; T429-V503 PolarHBondContact O-N 3.16Å |
| 430 | F | 84.9 | Confident | 73 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 0% | 0.004 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 150.8 | 179.1 | -58.2 | -88.1 | 0 | 0 | 0 | 110.7 | M428 L475 F476 I478 K489 L500 C501 P502 | M428-F430 HydrophobicContact CB-CE2 3.83Å; M428-F430 HydrophobicContact CB-CZ 4.21Å; M428-F430 HydrophobicContact CE-CE1 3.88Å; M428-F430 HydrophobicContact CE-CZ 3.75Å; M428-F430 HydrophobicContact CG-CD2 4.43Å; M428-F430 HydrophobicContact CG-CE1 4.29Å; M428-F430 HydrophobicContact CG-CE2 3.6Å; M428-F430 HydrophobicContact CG-CZ 3.54Å; M428-F430 HydrophobicContact SD-CE1 4.19Å; M428-F430 HydrophobicContact SD-CE2 4.04Å; M428-F430 HydrophobicContact SD-CZ 3.43Å; M428-F430 WeakPolarHBondContact SD-CZ 3.4Å; F430-L475 CarbonylContact O-C 3.49Å; F430-L475 WeakPolarHBondContact O-CA 3.35Å; F430-F476 PolarHBondContact N-O 2.92Å; F430-F476 PolarHBondContact O-N 3.17Å; F430-I478 HydrophobicContact CD2-CD1 3.78Å; F430-I478 HydrophobicContact CD2-CG1 4.03Å; F430-I478 HydrophobicContact CE2-CD1 3.63Å; F430-I478 HydrophobicContact CE2-CG1 4.07Å; F430-K489 HydrophobicContact CE1-CD 3.96Å; F430-K489 HydrophobicContact CE1-CG 4.07Å; F430-K489 HydrophobicContact CZ-CB 4.4Å; F430-K489 HydrophobicContact CZ-CD 3.94Å; F430-K489 HydrophobicContact CZ-CG 3.91Å; F430-L500 HydrophobicContact CB-CB 4.32Å; F430-L500 HydrophobicContact CB-CD1 4.43Å; F430-L500 HydrophobicContact CB-CD2 4.1Å; F430-L500 HydrophobicContact CD1-CB 3.73Å; F430-L500 HydrophobicContact CD1-CD1 4.29Å; F430-L500 HydrophobicContact CE1-CB 4.34Å; F430-L500 HydrophobicContact CG-CB 4.24Å; F430-L500 HydrophobicContact CG-CD1 4.2Å; F430-C501 WeakPolarHBondContact CA-O 3.17Å; F430-P502 HydrophobicContact CD1-CB 4.11Å; F430-P502 HydrophobicContact CE1-CB 4.06Å |
| 431 | S | 85.3 | Confident | 75.3 | Confident | 19 Ų | 19 | 63.7 Ų | 63.7 | 13% | 0.133 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 126.3 | 172.4 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | C501 | S431-C501 PolarHBondContact N-O 3.48Å |
| 432 | I | 85.7 | Confident | 77.9 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 135.2 | 174.9 | -53.2 | -168.6 | 0 | 0 | 0 | 109.2 | T434 K436 V440 F473 K474 F476 I492 I496 L500 | I432-T434 PolarHBondContact O-N 3.2Å; I432-K436 HydrophobicContact CG2-CB 4.37Å; I432-V440 HydrophobicContact CD1-CG2 4.07Å; I432-V440 HydrophobicContact CG2-CG2 4.5Å; I432-F473 WeakPolarHBondContact O-CA 3.45Å; I432-K474 PolarHBondContact N-O 3.19Å; I432-K474 PolarHBondContact O-N 2.93Å; I432-F476 HydrophobicContact CB-CD2 3.71Å; I432-F476 HydrophobicContact CB-CE2 3.73Å; I432-F476 HydrophobicContact CD1-CB 4.04Å; I432-F476 HydrophobicContact CD1-CD1 3.91Å; I432-F476 HydrophobicContact CD1-CD2 3.45Å; I432-F476 VanDerWaalsContact CD1-CD2 3.45Å; I432-F476 HydrophobicContact CD1-CE1 4.17Å; I432-F476 HydrophobicContact CD1-CE2 3.75Å; I432-F476 HydrophobicContact CD1-CG 3.52Å; I432-F476 HydrophobicContact CD1-CZ 4.09Å; I432-F476 HydrophobicContact CG1-CB 4.28Å; I432-F476 HydrophobicContact CG1-CD2 3.48Å; I432-F476 VanDerWaalsContact CG1-CD2 3.48Å; I432-F476 HydrophobicContact CG1-CE2 3.94Å; I432-F476 HydrophobicContact CG1-CG 3.95Å; I432-F476 HydrophobicContact CG2-CE2 4.38Å; I432-I492 HydrophobicContact CD1-CG2 3.49Å; I432-I492 VanDerWaalsContact CD1-CG2 3.49Å; I432-I496 HydrophobicContact CG2-CG2 3.97Å; I432-L500 HydrophobicContact CD1-CD2 3.9Å; I432-L500 HydrophobicContact CG1-CD2 3.58Å |
| 433 | P | 85.3 | Confident | 80 | Confident | 28 Ų | 28 | 61.6 Ų | 61.6 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 134.6 | 174.6 | -23.5 | 32.2 | 0 | 0 | 0 | 112.4 | H435 K436 C437 N472 F473 | P433-H435 WeakPolarHBondContact CB-CE1 3.48Å; P433-H435 PolarHBondContact O-N 3.32Å; P433-H435 VanDerWaalsContact O-N 3.11Å; P433-K436 HydrophobicContact CB-CG 4.33Å; P433-K436 PolarHBondContact O-N 2.74Å; P433-C437 PolarHBondContact O-N 3.49Å; P433-N472 CarbonylContact C-O 3.45Å; P433-N472 VanDerWaalsContact CA-O 3.29Å; P433-N472 WeakPolarHBondContact CA-O 3.32Å; P433-F473 HydrophobicContact CB-CD1 4.49Å; P433-F473 HydrophobicContact CB-CE1 4.42Å; P433-F473 HydrophobicContact CG-CD1 4.2Å; P433-F473 HydrophobicContact CG-CE1 3.87Å |
| 434 | T | 84.5 | Confident | 81.7 | Confident | 43 Ų | 43 | 60.1 Ų | 60.1 | 26% | 0.264 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -31.6 | -176.6 | -65.4 | 0 | 0 | 0 | 0 | 112.6 | I432 C437 P471 N472 F473 K474 | I432-T434 PolarHBondContact O-N 3.2Å; T434-C437 PolarHBondContact O-SG 3.32Å; T434-P471 PolarHBondContact OG1-O 3.38Å; T434-N472 PolarHBondContact N-O 3.21Å; T434-N472 VanDerWaalsContact OG1-C 3.31Å; T434-N472 PolarHBondContact OG1-O 3.47Å; T434-F473 PolarHBondContact OG1-N 3.36Å; T434-K474 HydrophobicContact CG2-CD 4.46Å |
| 435 | H | 87.1 | Confident | 83.7 | Confident | 147 Ų | 147 | 53.8 Ų | 53.8 | 68% | 0.681 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -27.8 | 175.8 | 62.9 | -92.4 | 0 | 0 | 0 | 113.4 | P433 | P433-H435 WeakPolarHBondContact CB-CE1 3.48Å; P433-H435 PolarHBondContact O-N 3.32Å; P433-H435 VanDerWaalsContact O-N 3.11Å |
| 436 | K | 88.3 | Confident | 85.4 | Confident | 53 Ų | 53 | 58 Ų | 58 | 23% | 0.23 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -14.2 | 175.8 | -55.6 | -154.7 | -178.2 | -165.4 | 0 | 113.2 | I432 P433 G438 L439 I496 | I432-K436 HydrophobicContact CG2-CB 4.37Å; P433-K436 HydrophobicContact CB-CG 4.33Å; P433-K436 PolarHBondContact O-N 2.74Å; K436-G438 PolarHBondContact O-N 2.92Å; K436-G438 VanDerWaalsContact O-N 3.16Å; K436-L439 HydrophobicContact CB-CD1 4.46Å; K436-L439 WeakPolarHBondContact O-CB 3.5Å; K436-L439 PolarHBondContact O-N 3.42Å; K436-I496 HydrophobicContact CB-CB 4.25Å; K436-I496 HydrophobicContact CB-CG2 4.1Å; K436-I496 HydrophobicContact CD-CB 3.93Å; K436-I496 WeakPolarHBondContact CD-O 3.29Å; K436-I496 WeakPolarHBondContact CE-O 3.36Å; K436-I496 PolarHBondContact NZ-O 3.5Å |
| 437 | C | 86.7 | Confident | 86.7 | Confident | 10 Ų | 10 | 59.1 Ų | 59.1 | 7% | 0.068 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.6 | -32.9 | -178.3 | 86.7 | 0 | 0 | 0 | 0 | 112.7 | P433 T434 L439 V440 I441 K474 F476 | P433-C437 PolarHBondContact O-N 3.49Å; T434-C437 PolarHBondContact O-SG 3.32Å; C437-L439 VanDerWaalsContact C-N 3.29Å; C437-L439 PolarHBondContact O-N 3.42Å; C437-V440 PolarHBondContact O-N 3.1Å; C437-I441 HydrophobicContact CB-CD1 4.26Å; C437-I441 VanDerWaalsContact O-CD1 3.24Å; C437-I441 WeakPolarHBondContact O-CD1 3.43Å; C437-I441 WeakPolarHBondContact O-CG1 3.26Å; C437-I441 PolarHBondContact O-N 2.83Å; C437-K474 HydrophobicContact CB-CD 4.29Å; C437-F476 HydrophobicContact CB-CE2 3.96Å; C437-F476 HydrophobicContact CB-CZ 3.89Å |
| 438 | G | 86.7 | Confident | 87.3 | Confident | 46 Ų | 46 | 55.1 Ų | 55.1 | 47% | 0.474 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.2 | -31 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | K436 G442 | K436-G438 PolarHBondContact O-N 2.92Å; K436-G438 VanDerWaalsContact O-N 3.16Å; G438-G442 WeakPolarHBondContact O-CA 3.48Å; G438-G442 PolarHBondContact O-N 3.4Å |
| 439 | L | 88.1 | Confident | 87.7 | Confident | 100 Ų | 100 | 58.1 Ų | 58.1 | 52% | 0.524 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.6 | -45.5 | 175.5 | -60 | 173.1 | 0 | 0 | 0 | 110.6 | K436 C437 N447 | K436-L439 HydrophobicContact CB-CD1 4.46Å; K436-L439 WeakPolarHBondContact O-CB 3.5Å; K436-L439 PolarHBondContact O-N 3.42Å; C437-L439 VanDerWaalsContact C-N 3.29Å; C437-L439 PolarHBondContact O-N 3.42Å; L439-N447 PolarHBondContact O-ND2 2.8Å |
| 440 | V | 88.8 | Confident | 88 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 179.5 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | I432 C437 N447 V448 I451 F476 I492 I496 | I432-V440 HydrophobicContact CD1-CG2 4.07Å; I432-V440 HydrophobicContact CG2-CG2 4.5Å; C437-V440 PolarHBondContact O-N 3.1Å; V440-N447 CarbonylContact O-C 3.58Å; V440-V448 PolarHBondContact O-N 3.08Å; V440-I451 HydrophobicContact CG1-CD1 3.96Å; V440-F476 HydrophobicContact CB-CE1 4.44Å; V440-F476 HydrophobicContact CG1-CE1 4.03Å; V440-I492 HydrophobicContact CG1-CG1 3.98Å; V440-I492 HydrophobicContact CG1-CG2 4.22Å; V440-I492 HydrophobicContact CG2-CG2 3.99Å; V440-I496 HydrophobicContact CG2-CG2 3.28Å |
| 441 | I | 88 | Confident | 88.4 | Confident | 35 Ų | 35 | 57.7 Ų | 57.7 | 18% | 0.179 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.6 | -43.2 | -176.4 | -59.5 | 158.1 | 0 | 0 | 0 | 111 | C437 G445 N447 V448 I461 F476 | C437-I441 HydrophobicContact CB-CD1 4.26Å; C437-I441 VanDerWaalsContact O-CD1 3.24Å; C437-I441 WeakPolarHBondContact O-CD1 3.43Å; C437-I441 WeakPolarHBondContact O-CG1 3.26Å; C437-I441 PolarHBondContact O-N 2.83Å; I441-G445 CarbonylContact O-C 3.45Å; I441-G445 VanDerWaalsContact O-C 3.23Å; I441-G445 VanDerWaalsContact O-CA 3.24Å; I441-G445 WeakPolarHBondContact O-CA 3.43Å; I441-N447 PolarHBondContact O-N 3.38Å; I441-N447 VanDerWaalsContact O-N 3.12Å; I441-V448 HydrophobicContact CG2-CG1 4.24Å; I441-V448 PolarHBondContact O-N 2.91Å; I441-V448 VanDerWaalsContact O-N 3.13Å; I441-I461 HydrophobicContact CD1-CD1 3.37Å; I441-I461 HydrophobicContact CD1-CG1 4.16Å; I441-I461 HydrophobicContact CG1-CD1 3.88Å; I441-I461 HydrophobicContact CG1-CG1 4.38Å; I441-F476 HydrophobicContact CD1-CZ 4.23Å; I441-F476 HydrophobicContact CG1-CE1 4.27Å; I441-F476 HydrophobicContact CG1-CZ 4.22Å |
| 442 | G | 86.5 | Confident | 88.7 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 26% | 0.258 | 32% | 0.321 | S | S | . | . | trans | 72.8 | 171.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G438 G444 G445 | G438-G442 WeakPolarHBondContact O-CA 3.48Å; G438-G442 PolarHBondContact O-N 3.4Å; G442-G444 PolarHBondContact O-N 3.07Å; G442-G445 PolarHBondContact O-N 3.48Å | ||
| 443 | R | 88.5 | Confident | 89.1 | Confident | 233 Ų | 233 | 66.6 Ų | 66.6 | 88% | 0.879 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -62 | 131.5 | 172.6 | -76.9 | -177.3 | -89.6 | 168.6 | -5.7 | 109.1 | G445 E446 | R443-G445 PolarHBondContact O-N 3.18Å; R443-G445 VanDerWaalsContact O-N 3.07Å; R443-E446 VanDerWaalsContact O-CB 3.31Å; R443-E446 WeakPolarHBondContact O-CB 3.27Å; R443-E446 PolarHBondContact O-N 3.31Å; R443-E446 VanDerWaalsContact O-N 3.1Å |
| 444 | G | 84.9 | Confident | 89.5 | Confident | 77 Ų | 77 | 71 Ų | 71 | 79% | 0.794 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | 61.9 | 14.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | G442 E446 | G442-G444 PolarHBondContact O-N 3.07Å; G444-E446 VanDerWaalsContact C-N 3.26Å; G444-E446 PolarHBondContact O-N 2.8Å |
| 445 | G | 87.5 | Confident | 89.9 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 13% | 0.134 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | 73.2 | 14.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I441 G442 R443 N447 V448 K449 | I441-G445 CarbonylContact O-C 3.45Å; I441-G445 VanDerWaalsContact O-C 3.23Å; I441-G445 VanDerWaalsContact O-CA 3.24Å; I441-G445 WeakPolarHBondContact O-CA 3.43Å; G442-G445 PolarHBondContact O-N 3.48Å; R443-G445 PolarHBondContact O-N 3.18Å; R443-G445 VanDerWaalsContact O-N 3.07Å; G445-N447 PolarHBondContact O-N 2.89Å; G445-V448 VanDerWaalsContact O-CG1 3.28Å; G445-V448 WeakPolarHBondContact O-CG1 3.26Å; G445-K449 WeakPolarHBondContact O-CB 3.36Å; G445-K449 WeakPolarHBondContact O-CD 3.2Å; G445-K449 VanDerWaalsContact O-CG 3.24Å; G445-K449 WeakPolarHBondContact O-CG 3.31Å; G445-K449 PolarHBondContact O-N 3.29Å |
| 446 | E | 91.2 | Very high | 90 | Very high | 145 Ų | 145 | 64.5 Ų | 64.5 | 68% | 0.678 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.6 | -41.3 | -178.1 | -173.9 | 177.6 | -172.4 | 0 | 0 | 112.5 | R443 G444 K449 A450 | R443-E446 VanDerWaalsContact O-CB 3.31Å; R443-E446 WeakPolarHBondContact O-CB 3.27Å; R443-E446 PolarHBondContact O-N 3.31Å; R443-E446 VanDerWaalsContact O-N 3.1Å; G444-E446 VanDerWaalsContact C-N 3.26Å; G444-E446 PolarHBondContact O-N 2.8Å; E446-K449 WeakPolarHBondContact O-CB 3.44Å; E446-K449 PolarHBondContact O-N 3.01Å; E446-A450 PolarHBondContact O-N 3.27Å |
| 447 | N | 92.7 | Very high | 90.2 | Very high | 46 Ų | 46 | 62.2 Ų | 62.2 | 25% | 0.246 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -74 | -39.3 | -176 | -156.2 | 12.5 | 0 | 0 | 0 | 111.4 | L439 V440 I441 G445 K449 A450 I451 K495 | L439-N447 PolarHBondContact O-ND2 2.8Å; V440-N447 CarbonylContact O-C 3.58Å; I441-N447 PolarHBondContact O-N 3.38Å; I441-N447 VanDerWaalsContact O-N 3.12Å; G445-N447 PolarHBondContact O-N 2.89Å; N447-K449 VanDerWaalsContact C-N 3.34Å; N447-K449 PolarHBondContact O-N 3.27Å; N447-A450 WeakPolarHBondContact O-CB 3.32Å; N447-A450 PolarHBondContact O-N 2.88Å; N447-I451 VanDerWaalsContact O-CG1 3.31Å; N447-I451 WeakPolarHBondContact O-CG1 3.21Å; N447-I451 PolarHBondContact O-N 2.77Å; N447-K495 WeakPolarHBondContact OD1-CE 3.37Å; N447-K495 PolarHBondContact OD1-NZ 3.36Å |
| 448 | V | 92.5 | Very high | 90.4 | Very high | 23 Ų | 23 | 67 Ų | 67 | 14% | 0.139 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.9 | -33.4 | 173 | 63 | 0 | 0 | 0 | 0 | 112.1 | V440 I441 G445 I451 N452 V459 | V440-V448 PolarHBondContact O-N 3.08Å; I441-V448 HydrophobicContact CG2-CG1 4.24Å; I441-V448 PolarHBondContact O-N 2.91Å; I441-V448 VanDerWaalsContact O-N 3.13Å; G445-V448 VanDerWaalsContact O-CG1 3.28Å; G445-V448 WeakPolarHBondContact O-CG1 3.26Å; V448-I451 PolarHBondContact O-N 3.35Å; V448-N452 WeakPolarHBondContact O-CB 3.2Å; V448-N452 PolarHBondContact O-N 2.93Å; V448-N452 PolarHBondContact O-OD1 3.29Å; V448-V459 HydrophobicContact CG2-CB 3.83Å; V448-V459 HydrophobicContact CG2-CG1 3.94Å |
| 449 | K | 92.6 | Very high | 90.6 | Very high | 137 Ų | 137 | 65 Ų | 65 | 60% | 0.596 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 169.8 | -74.8 | 167.1 | -177.1 | 167.3 | 0 | 111.8 | G445 E446 N447 N452 Q453 | G445-K449 WeakPolarHBondContact O-CB 3.36Å; G445-K449 WeakPolarHBondContact O-CD 3.2Å; G445-K449 VanDerWaalsContact O-CG 3.24Å; G445-K449 WeakPolarHBondContact O-CG 3.31Å; G445-K449 PolarHBondContact O-N 3.29Å; E446-K449 WeakPolarHBondContact O-CB 3.44Å; E446-K449 PolarHBondContact O-N 3.01Å; N447-K449 VanDerWaalsContact C-N 3.34Å; N447-K449 PolarHBondContact O-N 3.27Å; K449-N452 PolarHBondContact O-N 3.28Å; K449-Q453 WeakPolarHBondContact O-CB 3.19Å; K449-Q453 PolarHBondContact O-N 3.43Å |
| 450 | A | 93.1 | Very high | 90.6 | Very high | 30 Ų | 30 | 62 Ų | 62 | 25% | 0.248 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | E446 N447 N452 Q453 Q454 | E446-A450 PolarHBondContact O-N 3.27Å; N447-A450 WeakPolarHBondContact O-CB 3.32Å; N447-A450 PolarHBondContact O-N 2.88Å; A450-N452 PolarHBondContact O-N 2.95Å; A450-Q453 PolarHBondContact O-N 3.14Å; A450-Q454 WeakPolarHBondContact O-CB 3.4Å; A450-Q454 VanDerWaalsContact O-CG 3.29Å; A450-Q454 WeakPolarHBondContact O-CG 3.33Å; A450-Q454 PolarHBondContact O-N 2.98Å |
| 451 | I | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58 | -49.5 | 172.7 | -63.7 | 164.7 | 0 | 0 | 0 | 110.1 | V440 N447 V448 Q453 Q454 T455 V459 A488 L491 I492 K495 | V440-I451 HydrophobicContact CG1-CD1 3.96Å; N447-I451 VanDerWaalsContact O-CG1 3.31Å; N447-I451 WeakPolarHBondContact O-CG1 3.21Å; N447-I451 PolarHBondContact O-N 2.77Å; V448-I451 PolarHBondContact O-N 3.35Å; I451-Q453 VanDerWaalsContact C-N 3.3Å; I451-Q453 PolarHBondContact O-N 3.49Å; I451-Q454 PolarHBondContact O-N 3.41Å; I451-T455 HydrophobicContact CG2-CG2 4.18Å; I451-T455 VanDerWaalsContact O-CB 3.31Å; I451-T455 WeakPolarHBondContact O-CB 3.49Å; I451-T455 WeakPolarHBondContact O-CG2 3.42Å; I451-T455 PolarHBondContact O-N 2.97Å; I451-T455 PolarHBondContact O-OG1 3.35Å; I451-V459 HydrophobicContact CG2-CG2 3.97Å; I451-A488 HydrophobicContact CG2-CB 4.21Å; I451-L491 HydrophobicContact CG1-CB 4.41Å; I451-L491 HydrophobicContact CG2-CB 4.36Å; I451-L491 HydrophobicContact CG2-CD1 4.37Å; I451-I492 HydrophobicContact CD1-CG1 4.02Å; I451-I492 HydrophobicContact CG2-CG1 4.45Å; I451-K495 HydrophobicContact CD1-CD 3.63Å; I451-K495 HydrophobicContact CG1-CD 4.09Å; I451-K495 VanDerWaalsContact CG1-CE 3.49Å |
| 452 | N | 92.2 | Very high | 90.2 | Very high | 32 Ų | 32 | 64.8 Ų | 64.8 | 17% | 0.171 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 179.5 | -68.1 | -0.8 | 0 | 0 | 0 | 111.8 | V448 K449 A450 G456 A457 V459 | V448-N452 WeakPolarHBondContact O-CB 3.2Å; V448-N452 PolarHBondContact O-N 2.93Å; V448-N452 PolarHBondContact O-OD1 3.29Å; K449-N452 PolarHBondContact O-N 3.28Å; A450-N452 PolarHBondContact O-N 2.95Å; N452-G456 WeakPolarHBondContact O-CA 3.46Å; N452-G456 PolarHBondContact O-N 3.12Å; N452-A457 WeakPolarHBondContact CA-O 3.3Å; N452-A457 VanDerWaalsContact CB-O 3.22Å; N452-A457 WeakPolarHBondContact CB-O 3.21Å; N452-A457 PolarHBondContact OD1-O 3.11Å; N452-V459 WeakPolarHBondContact OD1-CB 3.32Å; N452-V459 VanDerWaalsContact OD1-CG2 3.28Å; N452-V459 WeakPolarHBondContact OD1-CG2 3.29Å; N452-V459 PolarHBondContact OD1-N 3.11Å |
| 453 | Q | 93.6 | Very high | 89.6 | Confident | 175 Ų | 175 | 71.4 Ų | 71.4 | 82% | 0.818 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -71.4 | -38.7 | 179.4 | -170.9 | 175 | 18.5 | 0 | 0 | 113.2 | K449 A450 I451 | K449-Q453 WeakPolarHBondContact O-CB 3.19Å; K449-Q453 PolarHBondContact O-N 3.43Å; A450-Q453 PolarHBondContact O-N 3.14Å; I451-Q453 VanDerWaalsContact C-N 3.3Å; I451-Q453 PolarHBondContact O-N 3.49Å |
| 454 | Q | 93.6 | Very high | 88.7 | Confident | 120 Ų | 120 | 67.2 Ų | 67.2 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -73.5 | -31.5 | 178.6 | -73.4 | 175.1 | -3.5 | 0 | 0 | 112.7 | A450 I451 H487 L491 | A450-Q454 WeakPolarHBondContact O-CB 3.4Å; A450-Q454 VanDerWaalsContact O-CG 3.29Å; A450-Q454 WeakPolarHBondContact O-CG 3.33Å; A450-Q454 PolarHBondContact O-N 2.98Å; I451-Q454 PolarHBondContact O-N 3.41Å; Q454-H487 PolarHBondContact O-CE1 2.94Å; Q454-L491 HydrophobicContact CB-CD1 4.02Å |
| 455 | T | 92.9 | Very high | 87.8 | Confident | 10 Ų | 10 | 69.8 Ų | 69.8 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -98.9 | -24.4 | -172.6 | 61.6 | 0 | 0 | 0 | 0 | 113.1 | I451 A457 Q484 H487 A488 L491 | I451-T455 HydrophobicContact CG2-CG2 4.18Å; I451-T455 VanDerWaalsContact O-CB 3.31Å; I451-T455 WeakPolarHBondContact O-CB 3.49Å; I451-T455 WeakPolarHBondContact O-CG2 3.42Å; I451-T455 PolarHBondContact O-N 2.97Å; I451-T455 PolarHBondContact O-OG1 3.35Å; T455-A457 PolarHBondContact O-N 3.23Å; T455-A457 WeakPolarHBondContact OG1-CB 3.35Å; T455-A457 PolarHBondContact OG1-N 2.8Å; T455-A457 VanDerWaalsContact OG1-N 3.08Å; T455-Q484 WeakPolarHBondContact O-CB 3.33Å; T455-Q484 VanDerWaalsContact O-CG 3.27Å; T455-Q484 WeakPolarHBondContact O-CG 3.44Å; T455-H487 HydrophobicContact CG2-CB 4.19Å; T455-A488 VanDerWaalsContact CG2-CA 3.46Å; T455-A488 HydrophobicContact CG2-CB 3.78Å; T455-L491 HydrophobicContact CG2-CD1 3.49Å; T455-L491 VanDerWaalsContact CG2-CD1 3.49Å; T455-L491 HydrophobicContact CG2-CG 4.31Å |
| 456 | G | 90.1 | Very high | 86.7 | Confident | 45 Ų | 45 | 69.7 Ų | 69.7 | 46% | 0.464 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 71.1 | 1.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N452 Q484 | N452-G456 WeakPolarHBondContact O-CA 3.46Å; N452-G456 PolarHBondContact O-N 3.12Å; G456-Q484 PolarHBondContact O-NE2 3.36Å |
| 457 | A | 90.7 | Very high | 85.3 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | trans | -83.8 | 159.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N452 T455 I478 R479 Q484 A488 | N452-A457 WeakPolarHBondContact CA-O 3.3Å; N452-A457 VanDerWaalsContact CB-O 3.22Å; N452-A457 WeakPolarHBondContact CB-O 3.21Å; N452-A457 PolarHBondContact OD1-O 3.11Å; T455-A457 PolarHBondContact O-N 3.23Å; T455-A457 WeakPolarHBondContact OG1-CB 3.35Å; T455-A457 PolarHBondContact OG1-N 2.8Å; T455-A457 VanDerWaalsContact OG1-N 3.08Å; A457-I478 HydrophobicContact CB-CG2 3.82Å; A457-R479 CarbonylContact C-O 3.58Å; A457-R479 VanDerWaalsContact CA-O 3.29Å; A457-R479 WeakPolarHBondContact CA-O 3.47Å; A457-R479 WeakPolarHBondContact CB-O 3.28Å; A457-Q484 HydrophobicContact CB-CB 4.03Å; A457-A488 HydrophobicContact CB-CB 3.8Å | ||
| 458 | F | 91.7 | Very high | 83.9 | Confident | 109 Ų | 109 | 71.3 Ų | 71.3 | 48% | 0.478 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 100.7 | 170.3 | -172 | -93.7 | 0 | 0 | 0 | 109.5 | E460 R479 | F458-E460 HydrophobicContact CD1-CB 4.33Å; F458-E460 HydrophobicContact CE1-CB 3.95Å; F458-E460 HydrophobicContact CE1-CG 4.13Å; F458-R479 HydrophobicContact CB-CB 4.37Å; F458-R479 PolarHBondContact N-O 2.87Å; F458-R479 PolarHBondContact O-N 2.7Å |
| 459 | V | 90.8 | Very high | 82.5 | Confident | 6 Ų | 6 | 72.5 Ų | 72.5 | 4% | 0.036 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 125.9 | 173.1 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | V448 I451 N452 F476 V477 I478 A488 I492 | V448-V459 HydrophobicContact CG2-CB 3.83Å; V448-V459 HydrophobicContact CG2-CG1 3.94Å; I451-V459 HydrophobicContact CG2-CG2 3.97Å; N452-V459 WeakPolarHBondContact OD1-CB 3.32Å; N452-V459 VanDerWaalsContact OD1-CG2 3.28Å; N452-V459 WeakPolarHBondContact OD1-CG2 3.29Å; N452-V459 PolarHBondContact OD1-N 3.11Å; V459-F476 HydrophobicContact CG1-CD1 3.98Å; V459-V477 CarbonylContact C-O 3.6Å; V459-V477 WeakPolarHBondContact CA-O 3.22Å; V459-I478 HydrophobicContact CG2-CG1 4.2Å; V459-I478 HydrophobicContact CG2-CG2 4.13Å; V459-A488 HydrophobicContact CG2-CB 4.1Å; V459-I492 HydrophobicContact CG1-CD1 3.96Å; V459-I492 HydrophobicContact CG2-CD1 4.02Å |
| 460 | E | 89.2 | Confident | 81.5 | Confident | 35 Ų | 35 | 69 Ų | 69 | 16% | 0.164 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.2 | 178.1 | -156.1 | -164.6 | 121.7 | 0 | 0 | 111 | R341 F458 F476 V477 | R341-E460 IonicContact CZ-OE1 3.78Å; R341-E460 IonicContact NH1-OE1 2.88Å; R341-E460 PolarHBondContact NH1-OE1 3.3Å; R341-E460 IonicContact NH2-OE1 3.34Å; R341-E460 PolarHBondContact NH2-OE1 3.28Å; R341-E460 IonicContact NH2-OE2 2.7Å; R341-E460 PolarHBondContact NH2-OE2 3.24Å; F458-E460 HydrophobicContact CD1-CB 4.33Å; F458-E460 HydrophobicContact CE1-CB 3.95Å; F458-E460 HydrophobicContact CE1-CG 4.13Å; E460-F476 CarbonylContact O-C 3.55Å; E460-F476 WeakPolarHBondContact O-CA 3.28Å; E460-V477 PolarHBondContact N-O 3.22Å; E460-V477 PolarHBondContact O-N 3.1Å |
| 461 | I | 86.7 | Confident | 80.7 | Confident | 68 Ų | 68 | 72.3 Ų | 72.3 | 35% | 0.349 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 117.4 | 168.3 | -47.8 | 159.1 | 0 | 0 | 0 | 107.5 | I441 F476 | I441-I461 HydrophobicContact CD1-CD1 3.37Å; I441-I461 HydrophobicContact CD1-CG1 4.16Å; I441-I461 HydrophobicContact CG1-CD1 3.88Å; I441-I461 HydrophobicContact CG1-CG1 4.38Å; I461-F476 HydrophobicContact CG1-CD1 4.3Å; I461-F476 HydrophobicContact CG1-CE1 3.74Å; I461-F476 HydrophobicContact CG1-CZ 3.9Å |
| 462 | S | 81.2 | Confident | 80.2 | Confident | 26 Ų | 26 | 77.6 Ų | 77.6 | 18% | 0.182 | 42% | 0.418 | C | S | . | . | trans | -69.4 | 137.8 | 173.1 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | Q464 L475 | S462-Q464 PolarHBondContact O-N 2.98Å; S462-Q464 VanDerWaalsContact OG-CB 3.29Å; S462-Q464 WeakPolarHBondContact OG-CB 3.29Å; S462-Q464 PolarHBondContact OG-N 3.37Å; S462-Q464 VanDerWaalsContact OG-N 3.12Å; S462-L475 PolarHBondContact N-O 3.23Å | ||
| 463 | R | 73.9 | Confident | 79.8 | Confident | 165 Ų | 165 | 79.7 Ų | 79.7 | 62% | 0.623 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -77.7 | -7.3 | 172.2 | -59.3 | -175.2 | -176.4 | -165 | -0.7 | 112.3 | ||
| 464 | Q | 68.3 | Low | 79.4 | Confident | 144 Ų | 144 | 75.3 Ų | 75.3 | 67% | 0.673 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -75.3 | 129 | 175.6 | -165.2 | 170.7 | 1.9 | 0 | 0 | 109.2 | S462 L475 | S462-Q464 PolarHBondContact O-N 2.98Å; S462-Q464 VanDerWaalsContact OG-CB 3.29Å; S462-Q464 WeakPolarHBondContact OG-CB 3.29Å; S462-Q464 PolarHBondContact OG-N 3.37Å; S462-Q464 VanDerWaalsContact OG-N 3.12Å; Q464-L475 HydrophobicContact CB-CD1 4.33Å |
| 465 | L | 66.4 | Low | 79 | Confident | 132 Ų | 132 | 69.9 Ų | 69.9 | 69% | 0.691 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -58 | 145.2 | 170.2 | -71.9 | 155.2 | 0 | 0 | 0 | 109.2 | ||
| 466 | P | 65.2 | Low | 78.8 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 7% | 0.065 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 145.8 | 172.4 | 25.7 | -34.1 | 0 | 0 | 0 | 109.9 | N468 G469 D470 F473 L475 | P466-N468 PolarHBondContact O-N 2.92Å; P466-G469 PolarHBondContact O-N 2.81Å; P466-D470 VanDerWaalsContact CG-O 3.23Å; P466-D470 WeakPolarHBondContact CG-O 3.37Å; P466-F473 HydrophobicContact CB-CB 4.49Å; P466-F473 HydrophobicContact CG-CB 4.22Å; P466-L475 HydrophobicContact CB-CD2 4.1Å; P466-L475 HydrophobicContact CB-CG 4.24Å |
| 467 | P | 61.6 | Low | 78.7 | Confident | 97 Ų | 97 | 68 Ų | 68 | 63% | 0.63 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.7 | -175.4 | 23.5 | -33.9 | 0 | 0 | 0 | 113.6 | G469 V503 | P467-G469 VanDerWaalsContact C-N 3.3Å; P467-V503 HydrophobicContact CG-CG1 3.67Å |
| 468 | N | 63.6 | Low | 78.8 | Confident | 128 Ų | 128 | 67.7 Ų | 67.7 | 68% | 0.684 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -9.8 | 174.9 | -58.7 | 6 | 0 | 0 | 0 | 113.7 | P466 D470 | P466-N468 PolarHBondContact O-N 2.92Å; N468-D470 WeakPolarHBondContact CB-OD2 3.12Å; N468-D470 PolarHBondContact O-N 2.94Å |
| 469 | G | 63.6 | Low | 78.7 | Confident | 48 Ų | 48 | 67.8 Ų | 67.8 | 50% | 0.495 | 35% | 0.352 | S | S | . | . | trans | 75.7 | -3.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | P466 P467 P471 | P466-G469 PolarHBondContact O-N 2.81Å; P467-G469 VanDerWaalsContact C-N 3.3Å; G469-P471 VanDerWaalsContact O-CD 3.29Å; G469-P471 WeakPolarHBondContact O-CD 3.37Å | ||
| 470 | D | 71.3 | Confident | 78.6 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 34% | 0.337 | 36% | 0.361 | S | S | . | . | trans | -63.3 | 112.9 | -174.5 | -67.5 | -52.8 | 0 | 0 | 0 | 113.1 | P466 N468 N472 F473 | P466-D470 VanDerWaalsContact CG-O 3.23Å; P466-D470 WeakPolarHBondContact CG-O 3.37Å; N468-D470 WeakPolarHBondContact CB-OD2 3.12Å; N468-D470 PolarHBondContact O-N 2.94Å; D470-N472 PolarHBondContact O-N 2.85Å; D470-N472 VanDerWaalsContact O-N 3.11Å; D470-F473 HydrophobicContact CB-CD2 3.8Å; D470-F473 PolarHBondContact O-N 2.74Å; D470-F473 VanDerWaalsContact O-N 3.13Å | ||
| 471 | P | 75 | Confident | 78.6 | Confident | 101 Ų | 101 | 69 Ų | 69 | 66% | 0.656 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15.1 | 176.4 | 29.2 | -35.8 | 0 | 0 | 0 | 112.7 | T434 G469 F473 | T434-P471 PolarHBondContact OG1-O 3.38Å; G469-P471 VanDerWaalsContact O-CD 3.29Å; G469-P471 WeakPolarHBondContact O-CD 3.37Å; P471-F473 PolarHBondContact O-N 3.34Å |
| 472 | N | 81.7 | Confident | 78.6 | Confident | 111 Ų | 111 | 70.2 Ų | 70.2 | 59% | 0.594 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -6.6 | 175.6 | -72.4 | -22.6 | 0 | 0 | 0 | 113.7 | P433 T434 D470 | P433-N472 CarbonylContact C-O 3.45Å; P433-N472 VanDerWaalsContact CA-O 3.29Å; P433-N472 WeakPolarHBondContact CA-O 3.32Å; T434-N472 PolarHBondContact N-O 3.21Å; T434-N472 VanDerWaalsContact OG1-C 3.31Å; T434-N472 PolarHBondContact OG1-O 3.47Å; D470-N472 PolarHBondContact O-N 2.85Å; D470-N472 VanDerWaalsContact O-N 3.11Å |
| 473 | F | 84 | Confident | 79 | Confident | 75 Ų | 75 | 76.8 Ų | 76.8 | 33% | 0.329 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 147.9 | 176.4 | -64.9 | -91.1 | 0 | 0 | 0 | 112 | I432 P433 T434 P466 D470 P471 | I432-F473 WeakPolarHBondContact O-CA 3.45Å; P433-F473 HydrophobicContact CB-CD1 4.49Å; P433-F473 HydrophobicContact CB-CE1 4.42Å; P433-F473 HydrophobicContact CG-CD1 4.2Å; P433-F473 HydrophobicContact CG-CE1 3.87Å; T434-F473 PolarHBondContact OG1-N 3.36Å; P466-F473 HydrophobicContact CB-CB 4.49Å; P466-F473 HydrophobicContact CG-CB 4.22Å; D470-F473 HydrophobicContact CB-CD2 3.8Å; D470-F473 PolarHBondContact O-N 2.74Å; D470-F473 VanDerWaalsContact O-N 3.13Å; P471-F473 PolarHBondContact O-N 3.34Å |
| 474 | K | 85.3 | Confident | 79.9 | Confident | 84 Ų | 84 | 72 Ų | 72 | 37% | 0.365 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.4 | 169.7 | -74.8 | 175.5 | 179.7 | 171.9 | 0 | 109.5 | I432 T434 C437 F476 | I432-K474 PolarHBondContact N-O 3.19Å; I432-K474 PolarHBondContact O-N 2.93Å; T434-K474 HydrophobicContact CG2-CD 4.46Å; C437-K474 HydrophobicContact CB-CD 4.29Å; K474-F476 HydrophobicContact CB-CD2 4.47Å; K474-F476 HydrophobicContact CB-CE2 4.11Å |
| 475 | L | 85.1 | Confident | 81 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 132.1 | 172.9 | -66.1 | -176 | 0 | 0 | 0 | 110 | T429 F430 S462 Q464 P466 V503 | T429-L475 HydrophobicContact CG2-CB 4.15Å; T429-L475 HydrophobicContact CG2-CD1 4.32Å; T429-L475 HydrophobicContact CG2-CD2 4.1Å; T429-L475 HydrophobicContact CG2-CG 4.42Å; F430-L475 CarbonylContact O-C 3.49Å; F430-L475 WeakPolarHBondContact O-CA 3.35Å; S462-L475 PolarHBondContact N-O 3.23Å; Q464-L475 HydrophobicContact CB-CD1 4.33Å; P466-L475 HydrophobicContact CB-CD2 4.1Å; P466-L475 HydrophobicContact CB-CG 4.24Å; L475-V503 HydrophobicContact CD2-CB 4.24Å; L475-V503 HydrophobicContact CD2-CG1 4.28Å; L475-V503 HydrophobicContact CD2-CG2 3.81Å |
| 476 | F | 89.1 | Confident | 82.1 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.009 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 137.4 | 171.4 | -80.8 | -108 | 0 | 0 | 0 | 108.5 | T429 F430 I432 C437 V440 I441 V459 E460 I461 K474 | T429-F476 CarbonylContact C-O 3.33Å; T429-F476 VanDerWaalsContact CA-O 3.32Å; T429-F476 WeakPolarHBondContact CA-O 3.17Å; F430-F476 PolarHBondContact N-O 2.92Å; F430-F476 PolarHBondContact O-N 3.17Å; I432-F476 HydrophobicContact CB-CD2 3.71Å; I432-F476 HydrophobicContact CB-CE2 3.73Å; I432-F476 HydrophobicContact CD1-CB 4.04Å; I432-F476 HydrophobicContact CD1-CD1 3.91Å; I432-F476 HydrophobicContact CD1-CD2 3.45Å; I432-F476 VanDerWaalsContact CD1-CD2 3.45Å; I432-F476 HydrophobicContact CD1-CE1 4.17Å; I432-F476 HydrophobicContact CD1-CE2 3.75Å; I432-F476 HydrophobicContact CD1-CG 3.52Å; I432-F476 HydrophobicContact CD1-CZ 4.09Å; I432-F476 HydrophobicContact CG1-CB 4.28Å; I432-F476 HydrophobicContact CG1-CD2 3.48Å; I432-F476 VanDerWaalsContact CG1-CD2 3.48Å; I432-F476 HydrophobicContact CG1-CE2 3.94Å; I432-F476 HydrophobicContact CG1-CG 3.95Å; I432-F476 HydrophobicContact CG2-CE2 4.38Å; C437-F476 HydrophobicContact CB-CE2 3.96Å; C437-F476 HydrophobicContact CB-CZ 3.89Å; V440-F476 HydrophobicContact CB-CE1 4.44Å; V440-F476 HydrophobicContact CG1-CE1 4.03Å; I441-F476 HydrophobicContact CD1-CZ 4.23Å; I441-F476 HydrophobicContact CG1-CE1 4.27Å; I441-F476 HydrophobicContact CG1-CZ 4.22Å; V459-F476 HydrophobicContact CG1-CD1 3.98Å; E460-F476 CarbonylContact O-C 3.55Å; E460-F476 WeakPolarHBondContact O-CA 3.28Å; I461-F476 HydrophobicContact CG1-CD1 4.3Å; I461-F476 HydrophobicContact CG1-CE1 3.74Å; I461-F476 HydrophobicContact CG1-CZ 3.9Å; K474-F476 HydrophobicContact CB-CD2 4.47Å; K474-F476 HydrophobicContact CB-CE2 4.11Å |
| 477 | V | 88.9 | Confident | 83.5 | Confident | 12 Ų | 12 | 66.5 Ų | 66.5 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.9 | -176.4 | 170.2 | 0 | 0 | 0 | 0 | 107.3 | E427 T429 V459 E460 R479 | E427-V477 HydrophobicContact CG-CG1 3.78Å; E427-V477 WeakPolarHBondContact OE1-CG1 3.42Å; T429-V477 HydrophobicContact CG2-CG2 4.23Å; V459-V477 CarbonylContact C-O 3.6Å; V459-V477 WeakPolarHBondContact CA-O 3.22Å; E460-V477 PolarHBondContact N-O 3.22Å; E460-V477 PolarHBondContact O-N 3.1Å; V477-R479 HydrophobicContact CG1-CG 4.12Å |
| 478 | I | 91.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 121.5 | 179 | -48.6 | -174.1 | 0 | 0 | 0 | 107.9 | E427 M428 F430 A457 V459 I485 A488 I492 | E427-I478 CarbonylContact C-O 3.59Å; E427-I478 WeakPolarHBondContact CA-O 3.1Å; M428-I478 PolarHBondContact N-O 3.48Å; M428-I478 PolarHBondContact O-N 3.38Å; F430-I478 HydrophobicContact CD2-CD1 3.78Å; F430-I478 HydrophobicContact CD2-CG1 4.03Å; F430-I478 HydrophobicContact CE2-CD1 3.63Å; F430-I478 HydrophobicContact CE2-CG1 4.07Å; A457-I478 HydrophobicContact CB-CG2 3.82Å; V459-I478 HydrophobicContact CG2-CG1 4.2Å; V459-I478 HydrophobicContact CG2-CG2 4.13Å; I478-I485 HydrophobicContact CB-CG2 4.37Å; I478-I485 HydrophobicContact CG2-CB 4.28Å; I478-I485 HydrophobicContact CG2-CG1 4.02Å; I478-I485 HydrophobicContact CG2-CG2 4.21Å; I478-A488 HydrophobicContact CD1-CB 4.27Å; I478-A488 HydrophobicContact CG2-CB 3.77Å; I478-I492 HydrophobicContact CD1-CD1 3.63Å; I478-I492 HydrophobicContact CG1-CD1 4.38Å |
| 479 | R | 90.9 | Very high | 86.2 | Confident | 110 Ų | 110 | 58.4 Ų | 58.4 | 42% | 0.415 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140 | 178.5 | -64.1 | 175.1 | 178.7 | 162.1 | -2.1 | 111.2 | G426 E427 A457 F458 V477 | G426-R479 CarbonylContact O-C 3.54Å; G426-R479 VanDerWaalsContact O-CA 3.26Å; G426-R479 WeakPolarHBondContact O-CA 3.19Å; E427-R479 HydrophobicContact CB-CG 4.11Å; E427-R479 HydrophobicContact CG-CG 3.93Å; E427-R479 IonicContact OE1-CZ 2.72Å; E427-R479 IonicContact OE1-NE 3.2Å; E427-R479 PolarHBondContact OE1-NE 3.11Å; E427-R479 IonicContact OE1-NH2 2.68Å; E427-R479 PolarHBondContact OE1-NH2 2.75Å; A457-R479 CarbonylContact C-O 3.58Å; A457-R479 VanDerWaalsContact CA-O 3.29Å; A457-R479 WeakPolarHBondContact CA-O 3.47Å; A457-R479 WeakPolarHBondContact CB-O 3.28Å; F458-R479 HydrophobicContact CB-CB 4.37Å; F458-R479 PolarHBondContact N-O 2.87Å; F458-R479 PolarHBondContact O-N 2.7Å; V477-R479 HydrophobicContact CG1-CG 4.12Å |
| 480 | G | 88.7 | Confident | 87.5 | Confident | 22 Ų | 22 | 62 Ų | 62 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.4 | -167.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G426 | G426-G480 WeakPolarHBondContact CA-O 3.34Å; G426-G480 PolarHBondContact N-O 2.93Å; G426-G480 PolarHBondContact O-N 2.98Å |
| 481 | S | 89.5 | Confident | 88.5 | Confident | 46 Ų | 46 | 60 Ų | 60 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | trans | -68.9 | 158.7 | 163 | 84.2 | 0 | 0 | 0 | 0 | 110.3 | Q483 Q484 I485 | S481-Q483 PolarHBondContact O-N 2.87Å; S481-Q484 WeakPolarHBondContact O-CB 3.44Å; S481-Q484 PolarHBondContact O-N 2.93Å; S481-Q484 WeakPolarHBondContact OG-CG 3.28Å; S481-Q484 PolarHBondContact OG-N 2.78Å; S481-I485 WeakPolarHBondContact O-CG1 3.16Å; S481-I485 PolarHBondContact O-N 3.08Å | ||
| 482 | P | 86.8 | Confident | 89.2 | Confident | 92 Ų | 92 | 55.2 Ų | 55.2 | 60% | 0.597 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -52.8 | -40 | 177.8 | -28.4 | 36.1 | 0 | 0 | 0 | 113.3 | Q484 I485 D486 | P482-Q484 PolarHBondContact O-N 3.25Å; P482-I485 PolarHBondContact O-N 3.21Å; P482-D486 PolarHBondContact O-N 3.43Å |
| 483 | Q | 89.3 | Confident | 89.5 | Confident | 164 Ų | 164 | 52.1 Ų | 52.1 | 77% | 0.766 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.6 | -40.6 | 176.3 | -66.6 | 173.9 | -20.4 | 0 | 0 | 112.7 | S481 H487 | S481-Q483 PolarHBondContact O-N 2.87Å; Q483-H487 WeakPolarHBondContact O-CB 3.43Å; Q483-H487 PolarHBondContact O-N 2.91Å |
| 484 | Q | 92.7 | Very high | 89.7 | Confident | 66 Ų | 66 | 55.1 Ų | 55.1 | 31% | 0.308 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.3 | -39.3 | 176.9 | -62.8 | 174.7 | -42 | 0 | 0 | 110.8 | T455 G456 A457 S481 P482 A488 | T455-Q484 WeakPolarHBondContact O-CB 3.33Å; T455-Q484 VanDerWaalsContact O-CG 3.27Å; T455-Q484 WeakPolarHBondContact O-CG 3.44Å; G456-Q484 PolarHBondContact O-NE2 3.36Å; A457-Q484 HydrophobicContact CB-CB 4.03Å; S481-Q484 WeakPolarHBondContact O-CB 3.44Å; S481-Q484 PolarHBondContact O-N 2.93Å; S481-Q484 WeakPolarHBondContact OG-CG 3.28Å; S481-Q484 PolarHBondContact OG-N 2.78Å; P482-Q484 PolarHBondContact O-N 3.25Å; Q484-A488 WeakPolarHBondContact O-CB 3.34Å; Q484-A488 PolarHBondContact O-N 2.93Å |
| 485 | I | 90.9 | Very high | 89.7 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.9 | -47.6 | 176.7 | -66.7 | 168.9 | 0 | 0 | 0 | 110.9 | G426 M428 I478 S481 P482 H487 A488 K489 | G426-I485 VanDerWaalsContact C-CD1 3.5Å; M428-I485 HydrophobicContact CB-CG2 3.82Å; M428-I485 HydrophobicContact SD-CG2 4.07Å; I478-I485 HydrophobicContact CB-CG2 4.37Å; I478-I485 HydrophobicContact CG2-CB 4.28Å; I478-I485 HydrophobicContact CG2-CG1 4.02Å; I478-I485 HydrophobicContact CG2-CG2 4.21Å; S481-I485 WeakPolarHBondContact O-CG1 3.16Å; S481-I485 PolarHBondContact O-N 3.08Å; P482-I485 PolarHBondContact O-N 3.21Å; I485-H487 VanDerWaalsContact C-N 3.35Å; I485-H487 PolarHBondContact O-N 3.26Å; I485-A488 PolarHBondContact O-N 3.29Å; I485-K489 VanDerWaalsContact O-CB 3.28Å; I485-K489 WeakPolarHBondContact O-CB 3.33Å; I485-K489 PolarHBondContact O-N 3.19Å |
| 486 | D | 89.5 | Confident | 89.7 | Confident | 84 Ų | 84 | 53.8 Ų | 53.8 | 45% | 0.449 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 178.1 | -77.5 | -34.5 | 0 | 0 | 0 | 111.8 | P482 K489 Q490 | P482-D486 PolarHBondContact O-N 3.43Å; D486-K489 WeakPolarHBondContact O-CB 3.31Å; D486-K489 PolarHBondContact O-N 3.29Å; D486-Q490 WeakPolarHBondContact O-CG 3.31Å; D486-Q490 PolarHBondContact O-N 3.13Å |
| 487 | H | 93.4 | Very high | 89.2 | Confident | 78 Ų | 78 | 61.9 Ų | 61.9 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 175.2 | -173 | -161.9 | 0 | 0 | 0 | 111.8 | Q454 T455 Q483 I485 Q490 L491 | Q454-H487 PolarHBondContact O-CE1 2.94Å; T455-H487 HydrophobicContact CG2-CB 4.19Å; Q483-H487 WeakPolarHBondContact O-CB 3.43Å; Q483-H487 PolarHBondContact O-N 2.91Å; I485-H487 VanDerWaalsContact C-N 3.35Å; I485-H487 PolarHBondContact O-N 3.26Å; H487-Q490 PolarHBondContact O-N 3.03Å; H487-L491 PolarHBondContact O-N 3.19Å; H487-L491 VanDerWaalsContact O-N 3.12Å |
| 488 | A | 92.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.6 | -37.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I451 T455 A457 V459 I478 Q484 I485 L491 I492 | I451-A488 HydrophobicContact CG2-CB 4.21Å; T455-A488 VanDerWaalsContact CG2-CA 3.46Å; T455-A488 HydrophobicContact CG2-CB 3.78Å; A457-A488 HydrophobicContact CB-CB 3.8Å; V459-A488 HydrophobicContact CG2-CB 4.1Å; I478-A488 HydrophobicContact CD1-CB 4.27Å; I478-A488 HydrophobicContact CG2-CB 3.77Å; Q484-A488 WeakPolarHBondContact O-CB 3.34Å; Q484-A488 PolarHBondContact O-N 2.93Å; I485-A488 PolarHBondContact O-N 3.29Å; A488-L491 PolarHBondContact O-N 2.99Å; A488-I492 WeakPolarHBondContact O-CB 3.24Å; A488-I492 WeakPolarHBondContact O-CD1 3.48Å; A488-I492 WeakPolarHBondContact O-CG1 3.42Å; A488-I492 PolarHBondContact O-N 3.18Å |
| 489 | K | 89.7 | Confident | 87.1 | Confident | 55 Ų | 55 | 67.9 Ų | 67.9 | 24% | 0.239 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.7 | -48.2 | 172.7 | -171 | -161.8 | 173 | -145.4 | 0 | 110.6 | F430 I485 D486 I492 E493 L500 | F430-K489 HydrophobicContact CE1-CD 3.96Å; F430-K489 HydrophobicContact CE1-CG 4.07Å; F430-K489 HydrophobicContact CZ-CB 4.4Å; F430-K489 HydrophobicContact CZ-CD 3.94Å; F430-K489 HydrophobicContact CZ-CG 3.91Å; I485-K489 VanDerWaalsContact O-CB 3.28Å; I485-K489 WeakPolarHBondContact O-CB 3.33Å; I485-K489 PolarHBondContact O-N 3.19Å; D486-K489 WeakPolarHBondContact O-CB 3.31Å; D486-K489 PolarHBondContact O-N 3.29Å; K489-I492 PolarHBondContact O-N 3.32Å; K489-E493 WeakPolarHBondContact CE-OE1 3.48Å; K489-E493 IonicContact NZ-OE1 3.23Å; K489-E493 PolarHBondContact NZ-OE1 3.49Å; K489-E493 IonicContact NZ-OE2 3.25Å; K489-E493 WeakPolarHBondContact O-CG 3.37Å; K489-E493 PolarHBondContact O-N 3.08Å; K489-L500 HydrophobicContact CB-CD1 4.42Å; K489-L500 HydrophobicContact CG-CD1 3.63Å |
| 490 | Q | 90.9 | Very high | 85.7 | Confident | 122 Ų | 122 | 63 Ų | 63 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.8 | -49.7 | 177.9 | -71.4 | 169.6 | 21 | 0 | 0 | 112.5 | D486 H487 I492 E493 E494 | D486-Q490 WeakPolarHBondContact O-CG 3.31Å; D486-Q490 PolarHBondContact O-N 3.13Å; H487-Q490 PolarHBondContact O-N 3.03Å; Q490-I492 PolarHBondContact O-N 3.01Å; Q490-E493 PolarHBondContact O-N 3.07Å; Q490-E494 WeakPolarHBondContact O-CB 3.33Å; Q490-E494 PolarHBondContact O-N 3.39Å |
| 491 | L | 92 | Very high | 84.5 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.6 | -27.2 | 178.4 | -67.8 | -176.2 | 0 | 0 | 0 | 113.3 | I451 Q454 T455 H487 A488 K495 | I451-L491 HydrophobicContact CG1-CB 4.41Å; I451-L491 HydrophobicContact CG2-CB 4.36Å; I451-L491 HydrophobicContact CG2-CD1 4.37Å; Q454-L491 HydrophobicContact CB-CD1 4.02Å; T455-L491 HydrophobicContact CG2-CD1 3.49Å; T455-L491 VanDerWaalsContact CG2-CD1 3.49Å; T455-L491 HydrophobicContact CG2-CG 4.31Å; H487-L491 PolarHBondContact O-N 3.19Å; H487-L491 VanDerWaalsContact O-N 3.12Å; A488-L491 PolarHBondContact O-N 2.99Å; L491-K495 VanDerWaalsContact O-CD 3.27Å; L491-K495 WeakPolarHBondContact O-CD 3.28Å; L491-K495 WeakPolarHBondContact O-CE 3.47Å; L491-K495 WeakPolarHBondContact O-CG 3.44Å; L491-K495 PolarHBondContact O-N 3.08Å |
| 492 | I | 90.8 | Very high | 83.3 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -78.1 | -45 | 174.5 | -66.8 | 165.5 | 0 | 0 | 0 | 110.4 | I432 V440 I451 V459 I478 A488 K489 Q490 E494 K495 I496 L500 | I432-I492 HydrophobicContact CD1-CG2 3.49Å; I432-I492 VanDerWaalsContact CD1-CG2 3.49Å; V440-I492 HydrophobicContact CG1-CG1 3.98Å; V440-I492 HydrophobicContact CG1-CG2 4.22Å; V440-I492 HydrophobicContact CG2-CG2 3.99Å; I451-I492 HydrophobicContact CD1-CG1 4.02Å; I451-I492 HydrophobicContact CG2-CG1 4.45Å; V459-I492 HydrophobicContact CG1-CD1 3.96Å; V459-I492 HydrophobicContact CG2-CD1 4.02Å; I478-I492 HydrophobicContact CD1-CD1 3.63Å; I478-I492 HydrophobicContact CG1-CD1 4.38Å; A488-I492 WeakPolarHBondContact O-CB 3.24Å; A488-I492 WeakPolarHBondContact O-CD1 3.48Å; A488-I492 WeakPolarHBondContact O-CG1 3.42Å; A488-I492 PolarHBondContact O-N 3.18Å; K489-I492 PolarHBondContact O-N 3.32Å; Q490-I492 PolarHBondContact O-N 3.01Å; I492-E494 VanDerWaalsContact C-N 3.27Å; I492-E494 PolarHBondContact O-N 3.31Å; I492-K495 PolarHBondContact O-N 3.42Å; I492-K495 VanDerWaalsContact O-N 3.13Å; I492-I496 HydrophobicContact CG2-CD1 4.44Å; I492-I496 HydrophobicContact CG2-CG2 4.38Å; I492-I496 WeakPolarHBondContact O-CG1 3.5Å; I492-I496 WeakPolarHBondContact O-CG2 3.3Å; I492-I496 PolarHBondContact O-N 3.19Å; I492-L500 HydrophobicContact CB-CD1 3.99Å; I492-L500 HydrophobicContact CG2-CD1 3.75Å; I492-L500 HydrophobicContact CG2-CD2 3.93Å; I492-L500 HydrophobicContact CG2-CG 4.21Å |
| 493 | E | 88.1 | Confident | 81.9 | Confident | 47 Ų | 47 | 64.6 Ų | 64.6 | 22% | 0.22 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.1 | -40.2 | 175.7 | -75.2 | -179.6 | 152.5 | 0 | 0 | 111.6 | K489 Q490 E497 G498 L500 | K489-E493 WeakPolarHBondContact CE-OE1 3.48Å; K489-E493 IonicContact NZ-OE1 3.23Å; K489-E493 PolarHBondContact NZ-OE1 3.49Å; K489-E493 IonicContact NZ-OE2 3.25Å; K489-E493 WeakPolarHBondContact O-CG 3.37Å; K489-E493 PolarHBondContact O-N 3.08Å; Q490-E493 PolarHBondContact O-N 3.07Å; E493-E497 PolarHBondContact O-N 3.14Å; E493-E497 VanDerWaalsContact O-N 3.07Å; E493-G498 PolarHBondContact O-N 3.39Å; E493-L500 HydrophobicContact CG-CB 4.01Å; E493-L500 HydrophobicContact CG-CD1 3.9Å; E493-L500 HydrophobicContact CG-CG 3.63Å; E493-L500 PolarHBondContact OE1-N 2.87Å |
| 494 | E | 88 | Confident | 80 | Confident | 138 Ų | 138 | 59.5 Ų | 59.5 | 65% | 0.645 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.1 | -49.6 | 172.2 | -171.7 | -176.2 | -176.3 | 0 | 0 | 111.9 | Q490 I492 I496 E497 | Q490-E494 WeakPolarHBondContact O-CB 3.33Å; Q490-E494 PolarHBondContact O-N 3.39Å; I492-E494 VanDerWaalsContact C-N 3.27Å; I492-E494 PolarHBondContact O-N 3.31Å; E494-I496 VanDerWaalsContact C-N 3.3Å; E494-I496 PolarHBondContact O-N 2.91Å; E494-E497 PolarHBondContact O-N 2.92Å |
| 495 | K | 85.4 | Confident | 77.6 | Confident | 57 Ų | 57 | 62.9 Ų | 62.9 | 25% | 0.248 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.7 | -20.2 | -178.4 | -71.8 | 167.7 | -161.5 | -65.7 | 0 | 114.6 | N447 I451 L491 I492 | N447-K495 WeakPolarHBondContact OD1-CE 3.37Å; N447-K495 PolarHBondContact OD1-NZ 3.36Å; I451-K495 HydrophobicContact CD1-CD 3.63Å; I451-K495 HydrophobicContact CG1-CD 4.09Å; I451-K495 VanDerWaalsContact CG1-CE 3.49Å; L491-K495 VanDerWaalsContact O-CD 3.27Å; L491-K495 WeakPolarHBondContact O-CD 3.28Å; L491-K495 WeakPolarHBondContact O-CE 3.47Å; L491-K495 WeakPolarHBondContact O-CG 3.44Å; L491-K495 PolarHBondContact O-N 3.08Å; I492-K495 PolarHBondContact O-N 3.42Å; I492-K495 VanDerWaalsContact O-N 3.13Å |
| 496 | I | 84.6 | Confident | 75.1 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.026 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -102.1 | -1.6 | 176.2 | 72.7 | -176 | 0 | 0 | 0 | 113 | I432 K436 V440 I492 E494 G498 L500 | I432-I496 HydrophobicContact CG2-CG2 3.97Å; K436-I496 HydrophobicContact CB-CB 4.25Å; K436-I496 HydrophobicContact CB-CG2 4.1Å; K436-I496 HydrophobicContact CD-CB 3.93Å; K436-I496 WeakPolarHBondContact CD-O 3.29Å; K436-I496 WeakPolarHBondContact CE-O 3.36Å; K436-I496 PolarHBondContact NZ-O 3.5Å; V440-I496 HydrophobicContact CG2-CG2 3.28Å; I492-I496 HydrophobicContact CG2-CD1 4.44Å; I492-I496 HydrophobicContact CG2-CG2 4.38Å; I492-I496 WeakPolarHBondContact O-CG1 3.5Å; I492-I496 WeakPolarHBondContact O-CG2 3.3Å; I492-I496 PolarHBondContact O-N 3.19Å; E494-I496 VanDerWaalsContact C-N 3.3Å; E494-I496 PolarHBondContact O-N 2.91Å; I496-G498 VanDerWaalsContact C-N 3.28Å; I496-G498 WeakPolarHBondContact CD1-O 3.12Å; I496-G498 VanDerWaalsContact CG1-O 3.31Å; I496-G498 WeakPolarHBondContact CG1-O 3.39Å; I496-G498 PolarHBondContact O-N 3.45Å; I496-L500 HydrophobicContact CD1-CD2 3.58Å; I496-L500 HydrophobicContact CD1-CG 4.03Å |
| 497 | E | 80 | Confident | 73.1 | Confident | 172 Ų | 172 | 67.6 Ų | 67.6 | 80% | 0.804 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 53.3 | -176.2 | -60.3 | 175.9 | 167.9 | 0 | 0 | 111.3 | E493 E494 | E493-E497 PolarHBondContact O-N 3.14Å; E493-E497 VanDerWaalsContact O-N 3.07Å; E494-E497 PolarHBondContact O-N 2.92Å |
| 498 | G | 67.1 | Low | 70.3 | Confident | 27 Ų | 27 | 68.3 Ų | 68.3 | 28% | 0.278 | 43% | 0.432 | S | S | . | . | S | Bend | trans | 176.9 | 158 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | E493 I496 | E493-G498 PolarHBondContact O-N 3.39Å; I496-G498 VanDerWaalsContact C-N 3.28Å; I496-G498 WeakPolarHBondContact CD1-O 3.12Å; I496-G498 VanDerWaalsContact CG1-O 3.31Å; I496-G498 WeakPolarHBondContact CG1-O 3.39Å; I496-G498 PolarHBondContact O-N 3.45Å |
| 499 | P | 67.7 | Low | 67.5 | Low | 111 Ų | 111 | 71.5 Ų | 71.5 | 72% | 0.721 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 140.2 | -176.7 | 29.5 | -35 | 0 | 0 | 0 | 112 | ||
| 500 | L | 62.2 | Low | 65.1 | Low | 8 Ų | 8 | 75.6 Ų | 75.6 | 4% | 0.042 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 121.1 | 171.7 | -77.4 | 175.2 | 0 | 0 | 0 | 110.6 | F430 I432 K489 I492 E493 I496 P502 | F430-L500 HydrophobicContact CB-CB 4.32Å; F430-L500 HydrophobicContact CB-CD1 4.43Å; F430-L500 HydrophobicContact CB-CD2 4.1Å; F430-L500 HydrophobicContact CD1-CB 3.73Å; F430-L500 HydrophobicContact CD1-CD1 4.29Å; F430-L500 HydrophobicContact CE1-CB 4.34Å; F430-L500 HydrophobicContact CG-CB 4.24Å; F430-L500 HydrophobicContact CG-CD1 4.2Å; I432-L500 HydrophobicContact CD1-CD2 3.9Å; I432-L500 HydrophobicContact CG1-CD2 3.58Å; K489-L500 HydrophobicContact CB-CD1 4.42Å; K489-L500 HydrophobicContact CG-CD1 3.63Å; I492-L500 HydrophobicContact CB-CD1 3.99Å; I492-L500 HydrophobicContact CG2-CD1 3.75Å; I492-L500 HydrophobicContact CG2-CD2 3.93Å; I492-L500 HydrophobicContact CG2-CG 4.21Å; E493-L500 HydrophobicContact CG-CB 4.01Å; E493-L500 HydrophobicContact CG-CD1 3.9Å; E493-L500 HydrophobicContact CG-CG 3.63Å; E493-L500 PolarHBondContact OE1-N 2.87Å; I496-L500 HydrophobicContact CD1-CD2 3.58Å; I496-L500 HydrophobicContact CD1-CG 4.03Å; L500-P502 VanDerWaalsContact O-CD 3.3Å; L500-P502 WeakPolarHBondContact O-CD 3.46Å |
| 501 | C | 64 | Low | 62.3 | Low | 74 Ų | 74 | 73 Ų | 73 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 116.5 | 171.3 | -61 | 0 | 0 | 0 | 0 | 109.8 | F430 S431 | F430-C501 WeakPolarHBondContact CA-O 3.17Å; S431-C501 PolarHBondContact N-O 3.48Å |
| 502 | P | 62.9 | Low | 59.8 | Low | 84 Ų | 84 | 78.6 Ų | 78.6 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 127.7 | 176.1 | 30.3 | -33.6 | 0 | 0 | 0 | 110.2 | M428 F430 L500 G504 | M428-P502 HydrophobicContact CE-CB 3.98Å; F430-P502 HydrophobicContact CD1-CB 4.11Å; F430-P502 HydrophobicContact CE1-CB 4.06Å; L500-P502 VanDerWaalsContact O-CD 3.3Å; L500-P502 WeakPolarHBondContact O-CD 3.46Å; P502-G504 PolarHBondContact O-N 2.94Å |
| 503 | V | 58 | Low | 57.4 | Low | 35 Ų | 35 | 83.6 Ų | 83.6 | 21% | 0.212 | 58% | 0.583 | C | S | . | * | trans | -98.6 | 87.2 | 177.3 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | T429 P467 L475 | T429-V503 HydrophobicContact CG2-CB 4.29Å; T429-V503 PolarHBondContact O-N 3.16Å; P467-V503 HydrophobicContact CG-CG1 3.67Å; L475-V503 HydrophobicContact CD2-CB 4.24Å; L475-V503 HydrophobicContact CD2-CG1 4.28Å; L475-V503 HydrophobicContact CD2-CG2 3.81Å | ||
| 504 | G | 49.2 | Very low | 55.1 | Low | 57 Ų | 57 | 84.4 Ų | 84.4 | 59% | 0.588 | 60% | 0.604 | S | S | * | * | trans | -70.2 | 143.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P502 G506 | P502-G504 PolarHBondContact O-N 2.94Å; G504-G506 VanDerWaalsContact C-N 3.26Å; G504-G506 PolarHBondContact O-N 3.39Å | ||
| 505 | P | 42.9 | Very low | 53.3 | Low | 136 Ų | 136 | 84.3 Ų | 84.3 | 88% | 0.883 | 62% | 0.615 | S | S | * | * | trans | -74.3 | 79.8 | 173.5 | 31.4 | -34.2 | 0 | 0 | 0 | 110.3 | ||||
| 506 | G | 38.8 | Very low | 51.1 | Low | 64 Ų | 64 | 91 Ų | 91 | 66% | 0.66 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 131.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G504 | G504-G506 VanDerWaalsContact C-N 3.26Å; G504-G506 PolarHBondContact O-N 3.39Å |
| 507 | P | 45.8 | Very low | 49 | Very low | 127 Ų | 127 | 94 Ų | 94 | 83% | 0.825 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 143.3 | 172.3 | 29.1 | -34.1 | 0 | 0 | 0 | 110.1 | G509 | P507-G509 PolarHBondContact O-N 3.49Š|
| 508 | G | 35.5 | Very low | 47.3 | Very low | 93 Ų | 93 | 91 Ų | 91 | 96% | 0.959 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 121.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 509 | G | 33.1 | Very low | 45.8 | Very low | 68 Ų | 68 | 98.7 Ų | 98.7 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | trans | -162.4 | 138.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | P507 | P507-G509 PolarHBondContact O-N 3.49Š| ||
| 510 | P | 39.7 | Very low | 44.8 | Very low | 140 Ų | 140 | 102.2 Ų | 102.2 | 91% | 0.909 | 71% | 0.71 | S | S | * | * | trans | -93.5 | 154.6 | -150.9 | 35.5 | -37.3 | 0 | 0 | 0 | 114.9 | ||||
| 511 | G | 32.3 | Very low | 43.9 | Very low | 68 Ų | 68 | 108 Ų | 108 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | 125.1 | 129.5 | 158 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 512 | P | 39.5 | Very low | 42.7 | Very low | 139 Ų | 139 | 108 Ų | 108 | 90% | 0.903 | 76% | 0.76 | S | S | * | * | trans | -80.8 | 126.4 | 178.3 | 32.3 | -32.6 | 0 | 0 | 0 | 111.3 | ||||
| 513 | A | 39.6 | Very low | 42.2 | Very low | 105 Ų | 105 | 108.7 Ų | 108.7 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | trans | -105.4 | 89 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 514 | G | 40.1 | Very low | 41.5 | Very low | 65 Ų | 65 | 116.2 Ų | 116.2 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69 | 153.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 515 | P | 50.2 | Low | 41.4 | Very low | 135 Ų | 135 | 120.9 Ų | 120.9 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 149.1 | 175.1 | -11.6 | 26.7 | 0 | 0 | 0 | 111.7 | G517 | P515-G517 PolarHBondContact O-N 3.05Š|
| 516 | M | 39 | Very low | 41.5 | Very low | 199 Ų | 199 | 123.3 Ų | 123.3 | 98% | 0.98 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 126.8 | -178.2 | -67.8 | -176 | 175.8 | 0 | 0 | 114 | ||
| 517 | G | 41.2 | Very low | 41.7 | Very low | 68 Ų | 68 | 123.7 Ų | 123.7 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 141.8 | 150.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P515 | P515-G517 PolarHBondContact O-N 3.05Š|
| 518 | P | 45.1 | Very low | 42.2 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 128.3 | -167 | 36.1 | -34.8 | 0 | 0 | 0 | 114.2 | ||
| 519 | F | 36 | Very low | 42.8 | Very low | 189 Ų | 189 | 125.9 Ų | 125.9 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | 62.6 | 145 | 174 | -52.2 | -84.9 | 0 | 0 | 0 | 114.1 | ||||
| 520 | H | 45.2 | Very low | 43.3 | Very low | 184 Ų | 184 | 126.4 Ų | 126.4 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | cis | -146.9 | 157.7 | 40.1 | -71.7 | -109.3 | 0 | 0 | 0 | 111.8 | ||||
| 521 | P | 44.1 | Very low | 43.7 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | trans | -99.8 | 143.6 | -179 | 36.7 | -32.2 | 0 | 0 | 0 | 115 | ||||
| 522 | G | 39 | Very low | 44.6 | Very low | 73 Ų | 73 | 127.1 Ų | 127.1 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | -168.2 | 122.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 523 | P | 51.6 | Low | 45.2 | Very low | 100 Ų | 100 | 126 Ų | 126 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | trans | -107.6 | -173.4 | -165.8 | 12.7 | 10.3 | 0 | 0 | 0 | 115.2 | ||||
| 524 | F | 43.9 | Very low | 45.4 | Very low | 192 Ų | 192 | 130.6 Ų | 130.6 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | trans | 79.9 | 139.3 | 172.6 | -40.4 | -71.1 | 0 | 0 | 0 | 114.7 | ||||
| 525 | N | 45.8 | Very low | 45.5 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | cis | -147.6 | 169.5 | 13.3 | -166.9 | 19.8 | 0 | 0 | 0 | 112.9 | ||||
| 526 | Q | 46.8 | Very low | 45 | Very low | 187 Ų | 187 | 129.8 Ų | 129.8 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -93.3 | 163.4 | -172.8 | -52.1 | -177.7 | 23.9 | 0 | 0 | 115.4 | ||||
| 527 | G | 42.1 | Very low | 45.1 | Very low | 72 Ų | 72 | 124 Ų | 124 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | -174.6 | 134.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 528 | P | 56.2 | Low | 45.3 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | trans | -118.2 | 174.8 | -159 | 41.3 | -29.7 | 0 | 0 | 0 | 117.1 | ||||
| 529 | P | 48.7 | Very low | 45.9 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -111.1 | 163.7 | -173.3 | 40.8 | -33.6 | 0 | 0 | 0 | 117 | ||||
| 530 | G | 44.1 | Very low | 46.4 | Very low | 80 Ų | 80 | 123.3 Ų | 123.3 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 173.9 | 158.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 531 | A | 47.3 | Very low | 46.3 | Very low | 99 Ų | 99 | 122.1 Ų | 122.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | cis | -154.6 | 173.5 | -4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 532 | P | 51.1 | Low | 46 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -106.9 | -150.5 | -164.5 | 42.6 | -33.1 | 0 | 0 | 0 | 114.7 | ||||
| 533 | P | 52.3 | Low | 46 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | -119.1 | 177 | -109.2 | 38.1 | -19.5 | 0 | 0 | 0 | 115.8 | |||||
| 534 | H | 43.2 | Very low | 45.6 | Very low | 202 Ų | 202 | 129 Ų | 129 | 94% | 0.935 | 80% | 0.8 | S | S | * | * | trans | -146.8 | 164.1 | 166.7 | -117.7 | -73.7 | 0 | 0 | 0 | 114.1 | ||||
| 535 | A | 42.8 | Very low | 45.4 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -103.6 | 166.7 | -160.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 536 | G | 39 | Very low | 45.1 | Very low | 85 Ų | 85 | 127.2 Ų | 127.2 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | trans | 141.1 | 134.2 | 150.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 537 | G | 41.5 | Very low | 44.6 | Very low | 78 Ų | 78 | 121.2 Ų | 121.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 124.2 | 119.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 538 | P | 45.8 | Very low | 44.3 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -102.8 | 170.1 | 177.3 | 37.6 | -31.4 | 0 | 0 | 0 | 115.6 | ||||
| 539 | P | 56.8 | Low | 43.5 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -99.7 | 175.6 | -168.5 | 41.1 | -37.6 | 0 | 0 | 0 | 114.8 | ||||
| 540 | P | 47.4 | Very low | 42.9 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | -158.9 | 178.2 | 105.8 | 33.5 | -9.9 | 0 | 0 | 0 | 119 | |||||
| 541 | H | 41.9 | Very low | 42.6 | Very low | 160 Ų | 160 | 125 Ų | 125 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | 79.7 | 150.1 | 165.5 | -59 | 90.9 | 0 | 0 | 0 | 120.3 | ||||
| 542 | Q | 38.6 | Very low | 42.2 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | cis | -176.3 | 162.2 | -35.1 | -123.7 | -179.8 | 7.1 | 0 | 0 | 111.9 | ||||
| 543 | Y | 40.1 | Very low | 41.6 | Very low | 199 Ų | 199 | 129.1 Ų | 129.1 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | trans | 76.5 | 159.6 | 163.8 | -70 | -68.7 | 0 | 0 | 0 | 120.8 | ||||
| 544 | P | 43 | Very low | 40.7 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | -137.4 | -179.1 | -72.8 | 36.7 | -15 | 0 | 0 | 0 | 116.1 | |||||
| 545 | P | 39.5 | Very low | 40.1 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | trans | -108.7 | 168.8 | -175.1 | 40.2 | -33.1 | 0 | 0 | 0 | 117 | ||||
| 546 | Q | 38.3 | Very low | 39.6 | Very low | 185 Ų | 185 | 135 Ų | 135 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | trans | -131.4 | 148.5 | -172.6 | -159.7 | 80.3 | 13.4 | 0 | 0 | 113.4 | ||||
| 547 | G | 37.8 | Very low | 39.5 | Very low | 61 Ų | 61 | 136.6 Ų | 136.6 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | trans | -150.8 | -177.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 548 | W | 35.4 | Very low | 39.5 | Very low | 261 Ų | 261 | 139 Ų | 139 | 99% | 0.989 | 74% | 0.735 | S | S | * | * | trans | -150 | 154.1 | -177.9 | -77 | 86.1 | 0 | 0 | 0 | 114 | ||||
| 549 | G | 38.3 | Very low | 39.3 | Very low | 49 Ų | 49 | 137.5 Ų | 137.5 | 51% | 0.505 | 73% | 0.734 | S | S | . | * | trans | -147.2 | -155.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G48 | G48-G549 CarbonylContact O-C 3.23Å; G48-G549 VanDerWaalsContact O-O 3.07Å | ||
| 550 | N | 37.3 | Very low | 38.5 | Very low | 91 Ų | 91 | 138.1 Ų | 138.1 | 49% | 0.487 | 74% | 0.738 | S | S | . | * | cis | 173.8 | 131.9 | -13.2 | 157.4 | 40.6 | 0 | 0 | 0 | 110.9 | G47 G48 | G47-N550 CarbonylContact C-O 3.17Å; G47-N550 VanDerWaalsContact CA-O 3.26Å; G47-N550 WeakPolarHBondContact CA-O 3.43Å; G48-N550 PolarHBondContact N-O 3.05Å; G48-N550 PolarHBondContact O-N 2.82Å | ||
| 551 | T | 36.7 | Very low | 38 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 59% | 0.589 | 75% | 0.745 | S | S | * | * | trans | -158 | 154.7 | 169.3 | 2.7 | 0 | 0 | 0 | 0 | 120 | G48 G49 | G48-T551 VanDerWaalsContact CA-OG1 3.31Å; G48-T551 WeakPolarHBondContact CA-OG1 3.29Å; G49-T551 PolarHBondContact N-OG1 2.95Å | ||
| 552 | Y | 38.8 | Very low | 37.9 | Very low | 192 Ų | 192 | 139.3 Ų | 139.3 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | -137.4 | 174 | -165.9 | -114.9 | -92.1 | 0 | 0 | 0 | 111.1 | E554 | Y552-E554 HydrophobicContact CD1-CB 4.36Š| ||
| 553 | P | 39.3 | Very low | 38 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | -143.2 | 173.2 | 76.7 | 35.7 | -15.6 | 0 | 0 | 0 | 114.7 | |||||
| 554 | E | 32.8 | Very low | 38 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | cis | 106.8 | 127.8 | 3.8 | -161.8 | 179.1 | 122.3 | 0 | 0 | 117.9 | Y552 | Y552-E554 HydrophobicContact CD1-CB 4.36Š| ||
| 555 | W | 32 | Very low | 37.9 | Very low | 236 Ų | 236 | 140.1 Ų | 140.1 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | trans | -154.2 | 157.5 | 157.9 | -104 | 98.6 | 0 | 0 | 0 | 109.6 | ||||
| 556 | Q | 32.5 | Very low | 37.9 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | trans | -102.3 | 156.9 | -145.5 | -59.4 | 164 | -38.7 | 0 | 0 | 118 | ||||
| 557 | P | 36.3 | Very low | 37.8 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | trans | -114.9 | 150.2 | 156.5 | 38 | -28.2 | 0 | 0 | 0 | 113.8 | ||||
| 558 | P | 42 | Very low | 37.8 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | trans | -95.5 | 118.4 | -179.7 | 34 | -31.9 | 0 | 0 | 0 | 115.8 | ||||
| 559 | A | 41.6 | Very low | 37.9 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | trans | 45 | 152 | 137.6 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 560 | P | 39.3 | Very low | 37.9 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -113.6 | 171.1 | -160.7 | 42.6 | -32.7 | 0 | 0 | 0 | 116.3 | ||||
| 561 | H | 37.6 | Very low | 38.3 | Very low | 178 Ų | 178 | 130.2 Ų | 130.2 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | -143.9 | 130.5 | 166.8 | -136.1 | -29.1 | 0 | 0 | 0 | 113.6 | ||||
| 562 | D | 39.6 | Very low | 38.6 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 60% | 0.599 | 76% | 0.755 | S | S | * | * | trans | 14.3 | 115.7 | 166.8 | -70.7 | -79.3 | 0 | 0 | 0 | 123.5 | N564 | D562-N564 VanDerWaalsContact C-N 3.34Å; D562-N564 PolarHBondContact O-N 3.5Å | ||
| 563 | P | 39.3 | Very low | 38.9 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -74.9 | -10.2 | 165.9 | -16.8 | 31.9 | 0 | 0 | 0 | 115.7 | K565 A566 | P563-K565 PolarHBondContact O-N 3.25Å; P563-A566 VanDerWaalsContact O-CB 3.29Å; P563-A566 WeakPolarHBondContact O-CB 3.39Å; P563-A566 PolarHBondContact O-N 2.91Å |
| 564 | N | 40.3 | Very low | 39.1 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 88% | 0.877 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 10 | -167.6 | -135.3 | 3.2 | 0 | 0 | 0 | 114.9 | D562 | D562-N564 VanDerWaalsContact C-N 3.34Å; D562-N564 PolarHBondContact O-N 3.5Å |
| 565 | K | 41.7 | Very low | 39.9 | Very low | 187 Ų | 187 | 122.9 Ų | 122.9 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -4.7 | 173.3 | -139.6 | 173.9 | -171.5 | 178.9 | 0 | 113.2 | P563 A567 | P563-K565 PolarHBondContact O-N 3.25Å; K565-A567 VanDerWaalsContact C-N 3.34Å; K565-A567 PolarHBondContact O-N 3.12Å |
| 566 | A | 38.7 | Very low | 40.4 | Very low | 68 Ų | 68 | 115 Ų | 115 | 56% | 0.562 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -72.8 | -19.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P563 A568 | P563-A566 VanDerWaalsContact O-CB 3.29Å; P563-A566 WeakPolarHBondContact O-CB 3.39Å; P563-A566 PolarHBondContact O-N 2.91Å; A566-A568 PolarHBondContact O-N 3.38Å |
| 567 | A | 36.6 | Very low | 40.8 | Very low | 105 Ų | 105 | 115.5 Ų | 115.5 | 87% | 0.868 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -71.4 | -11.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | K565 | K565-A567 VanDerWaalsContact C-N 3.34Å; K565-A567 PolarHBondContact O-N 3.12Å |
| 568 | A | 37.1 | Very low | 41.4 | Very low | 90 Ų | 90 | 113 Ų | 113 | 74% | 0.744 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -105.2 | -4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A566 | A566-A568 PolarHBondContact O-N 3.38Š|
| 569 | A | 38.9 | Very low | 41.7 | Very low | 75 Ų | 75 | 109.8 Ų | 109.8 | 62% | 0.62 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -95.8 | 0.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | T571 | A569-T571 PolarHBondContact O-N 2.69Å; A569-T571 VanDerWaalsContact O-N 3.15Å |
| 570 | A | 38.4 | Very low | 41.8 | Very low | 96 Ų | 96 | 112 Ų | 112 | 79% | 0.793 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 10.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 571 | T | 45.9 | Very low | 42 | Very low | 128 Ų | 128 | 111.4 Ų | 111.4 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | -5.5 | -168.6 | -38.7 | 0 | 0 | 0 | 0 | 113.6 | A569 | A569-T571 PolarHBondContact O-N 2.69Å; A569-T571 VanDerWaalsContact O-N 3.15Å |
| 572 | D | 42.3 | Very low | 42.5 | Very low | 102 Ų | 102 | 106 Ų | 106 | 55% | 0.545 | 65% | 0.646 | S | S | . | * | trans | -136.4 | 98.2 | -173.9 | -151.3 | -31.2 | 0 | 0 | 0 | 113.1 | N574 A575 | D572-N574 PolarHBondContact O-N 2.72Å; D572-N574 VanDerWaalsContact O-N 3.11Å; D572-N574 WeakPolarHBondContact OD1-CB 3.48Å; D572-N574 PolarHBondContact OD1-N 2.83Å; D572-A575 PolarHBondContact O-N 2.8Å | ||
| 573 | P | 45.7 | Very low | 42.8 | Very low | 112 Ų | 112 | 108.3 Ų | 108.3 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.8 | -10.5 | -178.7 | 27 | -33.7 | 0 | 0 | 0 | 113.7 | ||
| 574 | N | 43.4 | Very low | 42.9 | Very low | 119 Ų | 119 | 111 Ų | 111 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -79.1 | -29.5 | -179.1 | -152 | 13.5 | 0 | 0 | 0 | 112.6 | D572 W577 A578 | D572-N574 PolarHBondContact O-N 2.72Å; D572-N574 VanDerWaalsContact O-N 3.11Å; D572-N574 WeakPolarHBondContact OD1-CB 3.48Å; D572-N574 PolarHBondContact OD1-N 2.83Å; N574-W577 PolarHBondContact O-N 2.82Å; N574-A578 PolarHBondContact O-N 3.39Å |
| 575 | A | 49 | Very low | 43.3 | Very low | 67 Ų | 67 | 111.3 Ų | 111.3 | 55% | 0.554 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.4 | -34.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D572 A579 | D572-A575 PolarHBondContact O-N 2.8Å; A575-A579 PolarHBondContact O-N 3.41Å |
| 576 | A | 41.5 | Very low | 43.3 | Very low | 70 Ų | 70 | 110 Ų | 110 | 58% | 0.579 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.1 | -34.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A579 Y580 | A576-A579 PolarHBondContact O-N 3.43Å; A576-Y580 PolarHBondContact O-N 3.45Å; A576-Y580 VanDerWaalsContact O-N 3.13Å |
| 577 | W | 41.5 | Very low | 43.1 | Very low | 167 Ų | 167 | 115.2 Ų | 115.2 | 63% | 0.633 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.4 | -39.9 | 177.4 | -106.3 | 70.8 | 0 | 0 | 0 | 112.6 | N574 A579 Y580 Y581 | N574-W577 PolarHBondContact O-N 2.82Å; W577-A579 PolarHBondContact O-N 3.47Å; W577-Y580 PolarHBondContact O-N 2.86Å; W577-Y581 AromaticContact CE3-CD2 3.92Å; W577-Y581 HydrophobicContact CE3-CD2 3.92Å; W577-Y581 AromaticContact CE3-CE2 3.59Å; W577-Y581 HydrophobicContact CE3-CE2 3.59Å; W577-Y581 HydrophobicContact CH2-CE2 4.16Å; W577-Y581 HydrophobicContact CZ3-CD2 4.14Å; W577-Y581 AromaticContact CZ3-CE2 3.33Å; W577-Y581 HydrophobicContact CZ3-CE2 3.33Å; W577-Y581 PolarHBondContact O-N 2.86Å |
| 578 | A | 50 | Low | 43.4 | Very low | 65 Ų | 65 | 115.7 Ų | 115.7 | 54% | 0.537 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -62.1 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N574 S582 | N574-A578 PolarHBondContact O-N 3.39Å; A578-S582 WeakPolarHBondContact O-CB 3.29Å; A578-S582 PolarHBondContact O-N 2.98Å; A578-S582 VanDerWaalsContact O-N 3.14Å |
| 579 | A | 47.6 | Very low | 43.6 | Very low | 59 Ų | 59 | 117.7 Ų | 117.7 | 49% | 0.488 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -62.8 | -45.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | A575 A576 W577 Y581 S582 H583 | A575-A579 PolarHBondContact O-N 3.41Å; A576-A579 PolarHBondContact O-N 3.43Å; W577-A579 PolarHBondContact O-N 3.47Å; A579-Y581 PolarHBondContact O-N 2.94Å; A579-S582 PolarHBondContact O-N 3.19Å; A579-S582 PolarHBondContact O-OG 3.25Å; A579-H583 PolarHBondContact O-N 2.8Å |
| 580 | Y | 44 | Very low | 43.6 | Very low | 145 Ų | 145 | 117.1 Ų | 117.1 | 57% | 0.569 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60.1 | -46.1 | 178.7 | -174.6 | -100.4 | 0 | 0 | 0 | 112.7 | A576 W577 S582 H583 | A576-Y580 PolarHBondContact O-N 3.45Å; A576-Y580 VanDerWaalsContact O-N 3.13Å; W577-Y580 PolarHBondContact O-N 2.86Å; Y580-S582 PolarHBondContact O-N 3.37Å; Y580-H583 PolarHBondContact O-N 3.39Å |
| 581 | Y | 44.1 | Very low | 43.4 | Very low | 117 Ų | 117 | 118.8 Ų | 118.8 | 46% | 0.459 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -65 | -37.8 | 177.8 | -98 | -101 | 0 | 0 | 0 | 113.2 | W577 A579 H583 Y584 Y585 | W577-Y581 AromaticContact CE3-CD2 3.92Å; W577-Y581 HydrophobicContact CE3-CD2 3.92Å; W577-Y581 AromaticContact CE3-CE2 3.59Å; W577-Y581 HydrophobicContact CE3-CE2 3.59Å; W577-Y581 HydrophobicContact CH2-CE2 4.16Å; W577-Y581 HydrophobicContact CZ3-CD2 4.14Å; W577-Y581 AromaticContact CZ3-CE2 3.33Å; W577-Y581 HydrophobicContact CZ3-CE2 3.33Å; W577-Y581 PolarHBondContact O-N 2.86Å; A579-Y581 PolarHBondContact O-N 2.94Å; Y581-H583 PolarHBondContact O-N 3.3Å; Y581-Y584 PolarHBondContact O-N 2.87Å; Y581-Y585 HydrophobicContact CD1-CD2 4.31Å; Y581-Y585 HydrophobicContact CD1-CE2 4.15Å; Y581-Y585 HydrophobicContact CE1-CE2 4.12Å |
| 582 | S | 47.4 | Very low | 43.4 | Very low | 63 Ų | 63 | 119.4 Ų | 119.4 | 44% | 0.441 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -63.1 | -23.9 | -179.5 | 75.2 | 0 | 0 | 0 | 0 | 114.1 | A578 A579 Y580 Q586 | A578-S582 WeakPolarHBondContact O-CB 3.29Å; A578-S582 PolarHBondContact O-N 2.98Å; A578-S582 VanDerWaalsContact O-N 3.14Å; A579-S582 PolarHBondContact O-N 3.19Å; A579-S582 PolarHBondContact O-OG 3.25Å; Y580-S582 PolarHBondContact O-N 3.37Å; S582-Q586 PolarHBondContact O-NE2 2.92Å; S582-Q586 VanDerWaalsContact O-NE2 3.11Å |
| 583 | H | 45.7 | Very low | 43.2 | Very low | 161 Ų | 161 | 120.7 Ų | 120.7 | 75% | 0.745 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -90.9 | -25.6 | -176.5 | -142.2 | 71.9 | 0 | 0 | 0 | 113.1 | A579 Y580 Y581 | A579-H583 PolarHBondContact O-N 2.8Å; Y580-H583 PolarHBondContact O-N 3.39Å; Y581-H583 PolarHBondContact O-N 3.3Å |
| 584 | Y | 41.1 | Very low | 42.9 | Very low | 172 Ų | 172 | 118.9 Ų | 118.9 | 68% | 0.675 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -87.9 | -21.2 | -173.3 | -126.9 | -84.6 | 0 | 0 | 0 | 114.4 | Y581 | Y581-Y584 PolarHBondContact O-N 2.87Å |
| 585 | Y | 49.1 | Very low | 42.8 | Very low | 169 Ų | 169 | 119.1 Ų | 119.1 | 66% | 0.663 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -108.4 | 3 | -173.5 | -80.8 | -86.9 | 0 | 0 | 0 | 115.2 | Y581 | Y581-Y585 HydrophobicContact CD1-CD2 4.31Å; Y581-Y585 HydrophobicContact CD1-CE2 4.15Å; Y581-Y585 HydrophobicContact CE1-CE2 4.12Å |
| 586 | Q | 40.9 | Very low | 42.4 | Very low | 159 Ų | 159 | 120.9 Ų | 120.9 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | trans | -99.7 | 15.7 | -173.9 | -108.9 | -174.5 | 110.5 | 0 | 0 | 115.6 | S582 | S582-Q586 PolarHBondContact O-NE2 2.92Å; S582-Q586 VanDerWaalsContact O-NE2 3.11Å | ||
| 587 | Q | 34.6 | Very low | 42.3 | Very low | 178 Ų | 178 | 123.3 Ų | 123.3 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -103 | 119.2 | 175.5 | -65.3 | -155.4 | 9.1 | 0 | 0 | 112.4 | ||
| 588 | P | 43.6 | Very low | 42.2 | Very low | 115 Ų | 115 | 119.9 Ų | 119.9 | 75% | 0.747 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 144.4 | 177.5 | 31.2 | -34 | 0 | 0 | 0 | 111.8 | G590 | P588-G590 PolarHBondContact O-N 2.88Š|
| 589 | P | 41.6 | Very low | 41.8 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 121.6 | -179 | 28.8 | -33.5 | 0 | 0 | 0 | 112.1 | ||
| 590 | G | 38.2 | Very low | 41.3 | Very low | 63 Ų | 63 | 125.3 Ų | 125.3 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 158.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P588 | P588-G590 PolarHBondContact O-N 2.88Š|
| 591 | P | 35.3 | Very low | 41.3 | Very low | 132 Ų | 132 | 122.9 Ų | 122.9 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -84 | 142.7 | -169 | 31.5 | -33 | 0 | 0 | 0 | 113.8 | ||
| 592 | V | 45.4 | Very low | 41.3 | Very low | 140 Ų | 140 | 123.1 Ų | 123.1 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -104.1 | 131 | 174.1 | -68.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 593 | P | 37.6 | Very low | 41.1 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | trans | -89.5 | 133.5 | 173.3 | 33.6 | -31.3 | 0 | 0 | 0 | 111.5 | ||||
| 594 | G | 39.7 | Very low | 40.7 | Very low | 73 Ų | 73 | 123 Ų | 123 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -106.1 | 173.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 595 | P | 41.8 | Very low | 40.5 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -136.2 | 127.1 | 154.4 | 32.9 | -16.5 | 0 | 0 | 0 | 115.7 | ||||
| 596 | A | 39.7 | Very low | 39.8 | Very low | 104 Ų | 104 | 120 Ų | 120 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | 54.4 | 143.8 | 143.5 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 597 | P | 39.7 | Very low | 39.6 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | trans | -123.7 | 171.4 | -171.8 | 43.4 | -30.2 | 0 | 0 | 0 | 117.6 | ||||
| 598 | A | 39.6 | Very low | 39.9 | Very low | 95 Ų | 95 | 118.6 Ų | 118.6 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | 73.4 | 164.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 599 | P | 41.8 | Very low | 39.5 | Very low | 135 Ų | 135 | 119.1 Ų | 119.1 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | cis | -130 | -171.8 | 10.8 | 40.8 | -21.8 | 0 | 0 | 0 | 117.1 | ||||
| 600 | A | 36 | Very low | 39.3 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -117.8 | 165.9 | -160.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 601 | A | 43.7 | Very low | 39.3 | Very low | 95 Ų | 95 | 124.1 Ų | 124.1 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | -179.2 | 174.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 602 | P | 45.6 | Very low | 39.3 | Very low | 121 Ų | 121 | 123 Ų | 123 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | -126.9 | -177.1 | -75 | 40.2 | -23 | 0 | 0 | 0 | 112.8 | |||||
| 603 | P | 41.6 | Very low | 39.2 | Very low | 131 Ų | 131 | 122.6 Ų | 122.6 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -104.5 | 168.1 | -156.5 | 40 | -36.4 | 0 | 0 | 0 | 117.2 | ||||
| 604 | A | 38.2 | Very low | 39.1 | Very low | 90 Ų | 90 | 122.8 Ų | 122.8 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | -142.1 | 119.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 605 | Q | 37.1 | Very low | 38.8 | Very low | 204 Ų | 204 | 122.9 Ų | 122.9 | 95% | 0.953 | 81% | 0.813 | S | S | * | * | trans | 20.4 | 135 | 130.6 | -58.6 | 171.4 | -14.8 | 0 | 0 | 118.9 | ||||
| 606 | G | 34 | Very low | 38.3 | Very low | 74 Ų | 74 | 126.4 Ų | 126.4 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | cis | 151.4 | 135.7 | -6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 607 | E | 37.1 | Very low | 38.5 | Very low | 196 Ų | 196 | 125 Ų | 125 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | -153.5 | 164.7 | 176.9 | -101.2 | 178.1 | 84.5 | 0 | 0 | 111.4 | ||||
| 608 | P | 41.4 | Very low | 38.5 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 174 | -140.6 | -3.2 | 25.7 | 0 | 0 | 0 | 117.1 | ||
| 609 | P | 33.8 | Very low | 38.7 | Very low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 146.7 | -164.4 | 34.8 | -35.9 | 0 | 0 | 0 | 115.4 | ||
| 610 | Q | 37.6 | Very low | 39.2 | Very low | 189 Ų | 189 | 126 Ų | 126 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 149.6 | 164.9 | -79.3 | -157.4 | -58.4 | 0 | 0 | 112.7 | ||
| 611 | P | 38 | Very low | 39.9 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 158.8 | -178.8 | 33.1 | -36.3 | 0 | 0 | 0 | 113.2 | ||
| 612 | P | 35.5 | Very low | 40.3 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 142.3 | -174.4 | 32.2 | -35.2 | 0 | 0 | 0 | 113 | T614 | P612-T614 PolarHBondContact O-N 3.48Š|
| 613 | P | 43.4 | Very low | 40.2 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 125.4 | 164.6 | 29.9 | -31.7 | 0 | 0 | 0 | 110.2 | ||
| 614 | T | 35.1 | Very low | 41.1 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 82% | 0.816 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 145.1 | -172.9 | 48.4 | 0 | 0 | 0 | 0 | 113.6 | P612 | P612-T614 PolarHBondContact O-N 3.48Š|
| 615 | G | 35 | Very low | 42.3 | Very low | 76 Ų | 76 | 130.7 Ų | 130.7 | 78% | 0.784 | 73% | 0.727 | S | S | * | * | trans | 91.7 | 74.1 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 616 | Q | 30.8 | Very low | 43.3 | Very low | 198 Ų | 198 | 127.1 Ų | 127.1 | 93% | 0.925 | 71% | 0.706 | S | S | * | * | trans | -89.8 | 116.2 | 160.9 | -167.9 | 173.6 | 18.1 | 0 | 0 | 109 | ||||
| 617 | S | 42.9 | Very low | 44.1 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 52% | 0.517 | 70% | 0.696 | S | S | . | * | trans | -73.1 | 133.6 | -179.8 | -53.4 | 0 | 0 | 0 | 0 | 111.8 | Y619 | S617-Y619 WeakPolarHBondContact O-CD2 3.15Å; S617-Y619 WeakPolarHBondContact O-CE2 3.23Å; S617-Y619 PolarHBondContact O-N 2.93Å | ||
| 618 | D | 40.8 | Very low | 45.4 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | trans | -84.7 | 91.2 | -177.4 | -163.4 | -19.5 | 0 | 0 | 0 | 111.1 | T620 | D618-T620 PolarHBondContact O-N 2.66Å; D618-T620 VanDerWaalsContact OD1-CB 3.27Å; D618-T620 WeakPolarHBondContact OD1-CB 3.44Å; D618-T620 PolarHBondContact OD1-N 2.99Å; D618-T620 PolarHBondContact OD1-OG1 3.36Å | ||
| 619 | Y | 43.5 | Very low | 46.3 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 58% | 0.576 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -2.8 | -176.9 | -68 | -77.4 | 0 | 0 | 0 | 114.4 | S617 K621 A622 W623 | S617-Y619 WeakPolarHBondContact O-CD2 3.15Å; S617-Y619 WeakPolarHBondContact O-CE2 3.23Å; S617-Y619 PolarHBondContact O-N 2.93Å; Y619-K621 PolarHBondContact O-N 2.88Å; Y619-K621 VanDerWaalsContact O-N 3.1Å; Y619-A622 PolarHBondContact O-N 3.28Å; Y619-W623 VanDerWaalsContact O-CD1 3.29Å; Y619-W623 PolarHBondContact O-N 3.02Å |
| 620 | T | 52.9 | Low | 47.2 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 57% | 0.571 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -50.2 | -42.3 | -173.2 | -54.7 | 0 | 0 | 0 | 0 | 112.6 | D618 W623 E624 | D618-T620 PolarHBondContact O-N 2.66Å; D618-T620 VanDerWaalsContact OD1-CB 3.27Å; D618-T620 WeakPolarHBondContact OD1-CB 3.44Å; D618-T620 PolarHBondContact OD1-N 2.99Å; D618-T620 PolarHBondContact OD1-OG1 3.36Å; T620-W623 PolarHBondContact O-N 3.35Å; T620-E624 PolarHBondContact O-N 3.48Å |
| 621 | K | 50.2 | Low | 47.6 | Very low | 160 Ų | 160 | 124.3 Ų | 124.3 | 70% | 0.696 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -71.2 | -31.3 | -177.5 | -135.2 | 177.6 | -174.2 | -178.5 | 0 | 114.4 | Y619 W623 E625 | Y619-K621 PolarHBondContact O-N 2.88Å; Y619-K621 VanDerWaalsContact O-N 3.1Å; K621-W623 VanDerWaalsContact C-N 3.34Å; K621-E625 PolarHBondContact O-N 3.01Å |
| 622 | A | 51.4 | Low | 48 | Very low | 62 Ų | 62 | 126.3 Ų | 126.3 | 51% | 0.512 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -72.6 | -31.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y619 Y626 | Y619-A622 PolarHBondContact O-N 3.28Å; A622-Y626 PolarHBondContact O-N 2.84Å |
| 623 | W | 43.6 | Very low | 48.2 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 56% | 0.564 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.5 | -38 | 173.6 | -71 | 110.4 | 0 | 0 | 0 | 112.6 | Y619 T620 K621 E625 Y626 Y627 | Y619-W623 VanDerWaalsContact O-CD1 3.29Å; Y619-W623 PolarHBondContact O-N 3.02Å; T620-W623 PolarHBondContact O-N 3.35Å; K621-W623 VanDerWaalsContact C-N 3.34Å; W623-E625 PolarHBondContact O-N 3.34Å; W623-Y626 HydrophobicContact CE3-CD1 4.21Å; W623-Y626 HydrophobicContact CZ3-CD1 4.2Å; W623-Y626 HydrophobicContact CZ3-CE1 4.47Å; W623-Y626 PolarHBondContact O-N 3.46Å; W623-Y627 HydrophobicContact CE3-CE2 4.35Å; W623-Y627 WeakPolarHBondContact O-CD2 3.24Å; W623-Y627 PolarHBondContact O-N 3.48Å; W623-Y627 VanDerWaalsContact O-N 3.11Å |
| 624 | E | 61.1 | Low | 48.2 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 55% | 0.551 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -55.8 | -47.8 | 172.2 | -73.5 | -175.5 | 141.7 | 0 | 0 | 111.8 | T620 Y626 K628 | T620-E624 PolarHBondContact O-N 3.48Å; E624-Y626 PolarHBondContact O-N 2.83Å; E624-K628 VanDerWaalsContact O-CB 3.22Å; E624-K628 WeakPolarHBondContact O-CB 3.18Å; E624-K628 PolarHBondContact O-N 3.3Å |
| 625 | E | 63.3 | Low | 48.4 | Very low | 148 Ų | 148 | 131.1 Ų | 131.1 | 69% | 0.692 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.4 | -36.1 | 179.2 | -70.8 | -168.8 | 162.2 | 0 | 0 | 113.1 | K621 W623 K629 | K621-E625 PolarHBondContact O-N 3.01Å; W623-E625 PolarHBondContact O-N 3.34Å; E625-K629 WeakPolarHBondContact O-CB 3.45Å; E625-K629 PolarHBondContact O-N 2.94Å; E625-K629 VanDerWaalsContact O-N 3.13Å |
| 626 | Y | 59 | Low | 48.5 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 51% | 0.51 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -63.2 | -51.5 | 177.1 | -179.6 | -102.3 | 0 | 0 | 0 | 112.1 | A622 W623 E624 K628 K629 I630 | A622-Y626 PolarHBondContact O-N 2.84Å; W623-Y626 HydrophobicContact CE3-CD1 4.21Å; W623-Y626 HydrophobicContact CZ3-CD1 4.2Å; W623-Y626 HydrophobicContact CZ3-CE1 4.47Å; W623-Y626 PolarHBondContact O-N 3.46Å; E624-Y626 PolarHBondContact O-N 2.83Å; Y626-K628 VanDerWaalsContact C-N 3.35Å; Y626-K628 PolarHBondContact O-N 3.29Å; Y626-K629 WeakPolarHBondContact O-CB 3.24Å; Y626-K629 PolarHBondContact O-N 2.8Å; Y626-K629 VanDerWaalsContact O-N 3.14Å; Y626-I630 HydrophobicContact CD1-CD1 4.09Å; Y626-I630 HydrophobicContact CE1-CD1 3.45Å; Y626-I630 VanDerWaalsContact CE1-CD1 3.45Å; Y626-I630 HydrophobicContact CE2-CD1 4.11Å; Y626-I630 VanDerWaalsContact CZ-CD1 3.47Å; Y626-I630 PolarHBondContact O-N 2.7Å |
| 627 | Y | 49.5 | Very low | 48.7 | Very low | 143 Ų | 143 | 133 Ų | 133 | 56% | 0.561 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.2 | -38.3 | 178.5 | -80.9 | -73 | 0 | 0 | 0 | 112.4 | W623 K629 I630 G631 | W623-Y627 HydrophobicContact CE3-CE2 4.35Å; W623-Y627 WeakPolarHBondContact O-CD2 3.24Å; W623-Y627 PolarHBondContact O-N 3.48Å; W623-Y627 VanDerWaalsContact O-N 3.11Å; Y627-K629 PolarHBondContact O-N 3.46Å; Y627-I630 PolarHBondContact O-N 2.98Å; Y627-G631 PolarHBondContact O-N 2.99Å |
| 628 | K | 64.9 | Low | 48.7 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 68% | 0.683 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -61.2 | -26.7 | 175 | -159.7 | 172.1 | -167.3 | 173.1 | 0 | 112.8 | E624 Y626 Q632 | E624-K628 VanDerWaalsContact O-CB 3.22Å; E624-K628 WeakPolarHBondContact O-CB 3.18Å; E624-K628 PolarHBondContact O-N 3.3Å; Y626-K628 VanDerWaalsContact C-N 3.35Å; Y626-K628 PolarHBondContact O-N 3.29Å; K628-Q632 PolarHBondContact O-NE2 3.48Å |
| 629 | K | 59.8 | Low | 48.6 | Very low | 174 Ų | 174 | 131.1 Ų | 131.1 | 76% | 0.757 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -84.3 | -28.4 | 177.4 | -162.4 | 171.9 | -175 | 176.5 | 0 | 113.5 | E625 Y626 Y627 | E625-K629 WeakPolarHBondContact O-CB 3.45Å; E625-K629 PolarHBondContact O-N 2.94Å; E625-K629 VanDerWaalsContact O-N 3.13Å; Y626-K629 WeakPolarHBondContact O-CB 3.24Å; Y626-K629 PolarHBondContact O-N 2.8Å; Y626-K629 VanDerWaalsContact O-N 3.14Å; Y627-K629 PolarHBondContact O-N 3.46Å |
| 630 | I | 53.6 | Low | 48.7 | Very low | 92 Ų | 92 | 129.4 Ų | 129.4 | 47% | 0.472 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -78.4 | -39.1 | 175.9 | -68.6 | 178.3 | 0 | 0 | 0 | 111.4 | Y626 Y627 Q632 Q633 | Y626-I630 HydrophobicContact CD1-CD1 4.09Å; Y626-I630 HydrophobicContact CE1-CD1 3.45Å; Y626-I630 VanDerWaalsContact CE1-CD1 3.45Å; Y626-I630 HydrophobicContact CE2-CD1 4.11Å; Y626-I630 VanDerWaalsContact CZ-CD1 3.47Å; Y626-I630 PolarHBondContact O-N 2.7Å; Y627-I630 PolarHBondContact O-N 2.98Å; I630-Q632 PolarHBondContact O-N 2.88Å; I630-Q633 PolarHBondContact O-N 3.39Å |
| 631 | G | 46 | Very low | 48.1 | Very low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 0.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y627 | Y627-G631 PolarHBondContact O-N 2.99Š|
| 632 | Q | 45.1 | Very low | 47.6 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 71% | 0.71 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 6 | -178.5 | -82.6 | 177.5 | 78.8 | 0 | 0 | 114.3 | K628 I630 | K628-Q632 PolarHBondContact O-NE2 3.48Å; I630-Q632 PolarHBondContact O-N 2.88Å |
| 633 | Q | 40.6 | Very low | 47.4 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 78% | 0.78 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -82.4 | 123.1 | 177.2 | -153.7 | 166.6 | 27.9 | 0 | 0 | 110.6 | I630 Q635 | I630-Q633 PolarHBondContact O-N 3.39Å; Q633-Q635 PolarHBondContact O-N 2.97Å |
| 634 | P | 42.8 | Very low | 47.6 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 127.2 | -170.7 | 25.2 | -33.7 | 0 | 0 | 0 | 112.6 | ||
| 635 | Q | 39.1 | Very low | 46.9 | Very low | 190 Ų | 190 | 136.8 Ų | 136.8 | 89% | 0.888 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 135.4 | 177.8 | -76.3 | 175.3 | -24.8 | 0 | 0 | 112 | Q633 | Q633-Q635 PolarHBondContact O-N 2.97Š|
| 636 | Q | 37.3 | Very low | 46.6 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 143.8 | 169.7 | -73.3 | -176.4 | -14.7 | 0 | 0 | 111 | G638 | Q636-G638 PolarHBondContact O-N 3.06Š|
| 637 | P | 35.9 | Very low | 46.5 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 90% | 0.896 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 121 | 175.4 | -10.9 | 26.2 | 0 | 0 | 0 | 110.7 | ||
| 638 | G | 41.8 | Very low | 46.9 | Very low | 84 Ų | 84 | 130.4 Ų | 130.4 | 87% | 0.866 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 136.4 | -11.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q636 | Q636-G638 PolarHBondContact O-N 3.06Š|
| 639 | A | 40.3 | Very low | 46.1 | Very low | 85 Ų | 85 | 130.4 Ų | 130.4 | 70% | 0.702 | 71% | 0.713 | S | S | * | * | trans | -86 | 138.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 640 | P | 44.2 | Very low | 46.1 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 71% | 0.714 | 70% | 0.703 | S | S | * | * | trans | -66.7 | 152.4 | 171.4 | 29 | -34.4 | 0 | 0 | 0 | 111.2 | Q642 | P640-Q642 PolarHBondContact O-N 2.95Å; P640-Q642 VanDerWaalsContact O-N 3.09Å | ||
| 641 | P | 41.1 | Very low | 46.8 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 83% | 0.831 | 71% | 0.714 | S | S | * | * | trans | -67.6 | 109.9 | -172.1 | 26.8 | -34.8 | 0 | 0 | 0 | 112.2 | ||||
| 642 | Q | 39.3 | Very low | 47.3 | Very low | 190 Ų | 190 | 131.4 Ų | 131.4 | 89% | 0.888 | 70% | 0.695 | S | S | * | * | trans | -65.9 | 130.5 | 162.8 | -90.9 | -173.9 | -17.6 | 0 | 0 | 109.4 | P640 | P640-Q642 PolarHBondContact O-N 2.95Å; P640-Q642 VanDerWaalsContact O-N 3.09Å | ||
| 643 | Q | 47.7 | Very low | 48 | Very low | 145 Ų | 145 | 131.4 Ų | 131.4 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | trans | -69.4 | 132.1 | 176.5 | -75 | -178.4 | -11.9 | 0 | 0 | 110.9 | Y645 | Q643-Y645 HydrophobicContact CB-CE2 4.18Å; Q643-Y645 WeakPolarHBondContact O-CD2 3.49Å; Q643-Y645 PolarHBondContact O-N 3.42Å; Q643-Y645 VanDerWaalsContact O-N 3.11Å | ||
| 644 | D | 47.7 | Very low | 49.3 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | trans | -82.5 | 88.3 | -174.7 | -165.8 | -10.7 | 0 | 0 | 0 | 110.9 | T646 | D644-T646 PolarHBondContact O-N 3.22Å; D644-T646 VanDerWaalsContact O-N 3.14Å; D644-T646 WeakPolarHBondContact OD1-CB 3.31Å; D644-T646 PolarHBondContact OD1-N 2.94Å; D644-T646 PolarHBondContact OD1-OG1 2.89Å | ||
| 645 | Y | 46.6 | Very low | 50.3 | Low | 143 Ų | 143 | 132.4 Ų | 132.4 | 56% | 0.561 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -2.1 | -179 | -68.9 | -77.1 | 0 | 0 | 0 | 114.2 | Q643 K647 A648 W649 | Q643-Y645 HydrophobicContact CB-CE2 4.18Å; Q643-Y645 WeakPolarHBondContact O-CD2 3.49Å; Q643-Y645 PolarHBondContact O-N 3.42Å; Q643-Y645 VanDerWaalsContact O-N 3.11Å; Y645-K647 VanDerWaalsContact C-N 3.32Å; Y645-K647 PolarHBondContact O-N 2.87Å; Y645-A648 PolarHBondContact O-N 3.45Å; Y645-A648 VanDerWaalsContact O-N 3.08Å; Y645-W649 PolarHBondContact O-N 3.32Å |
| 646 | T | 56.8 | Low | 50.9 | Low | 66 Ų | 66 | 127.8 Ų | 127.8 | 41% | 0.405 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -53 | -44.7 | -174.2 | -54 | 0 | 0 | 0 | 0 | 112.7 | D644 A648 W649 E650 | D644-T646 PolarHBondContact O-N 3.22Å; D644-T646 VanDerWaalsContact O-N 3.14Å; D644-T646 WeakPolarHBondContact OD1-CB 3.31Å; D644-T646 PolarHBondContact OD1-N 2.94Å; D644-T646 PolarHBondContact OD1-OG1 2.89Å; T646-A648 PolarHBondContact O-N 3.5Å; T646-W649 PolarHBondContact O-N 3.5Å; T646-E650 PolarHBondContact O-N 3.38Å; T646-E650 VanDerWaalsContact O-N 3.12Å |
| 647 | K | 56.5 | Low | 51.6 | Low | 162 Ų | 162 | 122.3 Ų | 122.3 | 70% | 0.704 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.1 | -36.2 | 178.4 | -82 | -175.1 | 172.8 | 179.5 | 0 | 114.5 | Y645 W649 E650 E651 | Y645-K647 VanDerWaalsContact C-N 3.32Å; Y645-K647 PolarHBondContact O-N 2.87Å; K647-W649 VanDerWaalsContact C-N 3.29Å; K647-W649 PolarHBondContact O-N 3.24Å; K647-E650 PolarHBondContact O-N 3.04Å; K647-E651 PolarHBondContact O-N 3.25Å; K647-E651 VanDerWaalsContact O-N 3.11Å |
| 648 | A | 57.6 | Low | 52.2 | Low | 58 Ų | 58 | 122.2 Ų | 122.2 | 48% | 0.479 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.5 | -34.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y645 T646 Y652 | Y645-A648 PolarHBondContact O-N 3.45Å; Y645-A648 VanDerWaalsContact O-N 3.08Å; T646-A648 PolarHBondContact O-N 3.5Å; A648-Y652 PolarHBondContact O-N 3.34Å |
| 649 | W | 48.4 | Very low | 52.6 | Low | 158 Ų | 158 | 123.9 Ų | 123.9 | 60% | 0.598 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -75.4 | -35.1 | 175.3 | -73.7 | 109.1 | 0 | 0 | 0 | 113.4 | Y645 T646 K647 Y652 Y653 | Y645-W649 PolarHBondContact O-N 3.32Å; T646-W649 PolarHBondContact O-N 3.5Å; K647-W649 VanDerWaalsContact C-N 3.29Å; K647-W649 PolarHBondContact O-N 3.24Å; W649-Y652 HydrophobicContact CE3-CD1 4.16Å; W649-Y652 HydrophobicContact CE3-CG 4.44Å; W649-Y652 HydrophobicContact CZ3-CD1 4.2Å; W649-Y652 HydrophobicContact CZ3-CE1 4.4Å; W649-Y652 PolarHBondContact O-N 3.12Å; W649-Y653 PolarHBondContact O-N 2.94Å |
| 650 | E | 60.8 | Low | 52.8 | Low | 121 Ų | 121 | 123.9 Ų | 123.9 | 57% | 0.565 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -59.5 | -48.4 | 170.5 | -75.8 | -173.7 | 135.1 | 0 | 0 | 111.8 | T646 K647 Y652 Y653 K654 | T646-E650 PolarHBondContact O-N 3.38Å; T646-E650 VanDerWaalsContact O-N 3.12Å; K647-E650 PolarHBondContact O-N 3.04Å; E650-Y652 VanDerWaalsContact C-N 3.35Å; E650-Y652 PolarHBondContact O-N 3.32Å; E650-Y653 PolarHBondContact O-N 3.28Å; E650-K654 VanDerWaalsContact O-CB 3.26Å; E650-K654 WeakPolarHBondContact O-CB 3.46Å; E650-K654 PolarHBondContact O-N 3.34Å |
| 651 | E | 66.9 | Low | 52.9 | Low | 148 Ų | 148 | 124.4 Ų | 124.4 | 69% | 0.692 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.9 | -40.4 | 178.7 | -73.6 | -165.3 | 162.4 | 0 | 0 | 112.4 | K647 K654 K655 | K647-E651 PolarHBondContact O-N 3.25Å; K647-E651 VanDerWaalsContact O-N 3.11Å; E651-K654 PolarHBondContact O-N 3.31Å; E651-K655 VanDerWaalsContact O-CB 3.31Å; E651-K655 WeakPolarHBondContact O-CB 3.31Å; E651-K655 PolarHBondContact O-N 3.28Å |
| 652 | Y | 57.6 | Low | 52.7 | Low | 89 Ų | 89 | 121.3 Ų | 121.3 | 35% | 0.349 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -56.7 | -53.3 | 176.6 | 174.6 | -93.2 | 0 | 0 | 0 | 112 | A648 W649 E650 K655 Q656 | A648-Y652 PolarHBondContact O-N 3.34Å; W649-Y652 HydrophobicContact CE3-CD1 4.16Å; W649-Y652 HydrophobicContact CE3-CG 4.44Å; W649-Y652 HydrophobicContact CZ3-CD1 4.2Å; W649-Y652 HydrophobicContact CZ3-CE1 4.4Å; W649-Y652 PolarHBondContact O-N 3.12Å; E650-Y652 VanDerWaalsContact C-N 3.35Å; E650-Y652 PolarHBondContact O-N 3.32Å; Y652-K655 PolarHBondContact O-N 3.11Å; Y652-Q656 VanDerWaalsContact CZ-NE2 3.28Å; Y652-Q656 WeakPolarHBondContact O-CB 3.48Å; Y652-Q656 PolarHBondContact O-N 3.13Å; Y652-Q656 PolarHBondContact OH-NE2 3.13Å |
| 653 | Y | 58.5 | Low | 52.4 | Low | 152 Ų | 152 | 115.9 Ų | 115.9 | 60% | 0.596 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.3 | -39.1 | -178.5 | -94.7 | -76.5 | 0 | 0 | 0 | 112.8 | W649 E650 K655 Q656 A657 | W649-Y653 PolarHBondContact O-N 2.94Å; E650-Y653 PolarHBondContact O-N 3.28Å; Y653-K655 VanDerWaalsContact C-N 3.28Å; Y653-K655 PolarHBondContact O-N 2.83Å; Y653-Q656 PolarHBondContact O-N 3.2Å; Y653-A657 PolarHBondContact O-N 2.95Å |
| 654 | K | 69.1 | Low | 51.9 | Low | 152 Ų | 152 | 112 Ų | 112 | 66% | 0.661 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61.6 | -37.9 | 177.4 | -163.9 | 169.4 | -170.8 | 169.7 | 0 | 112 | E650 E651 Q658 | E650-K654 VanDerWaalsContact O-CB 3.26Å; E650-K654 WeakPolarHBondContact O-CB 3.46Å; E650-K654 PolarHBondContact O-N 3.34Å; E651-K654 PolarHBondContact O-N 3.31Å; K654-Q658 WeakPolarHBondContact O-CG 3.36Å; K654-Q658 PolarHBondContact O-N 2.87Å |
| 655 | K | 63.7 | Low | 51.1 | Low | 155 Ų | 155 | 112.6 Ų | 112.6 | 67% | 0.674 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.8 | -35.7 | 176.3 | -154 | 167.1 | -169.9 | 171.5 | 0 | 112.1 | E651 Y652 Y653 Q658 V659 | E651-K655 VanDerWaalsContact O-CB 3.31Å; E651-K655 WeakPolarHBondContact O-CB 3.31Å; E651-K655 PolarHBondContact O-N 3.28Å; Y652-K655 PolarHBondContact O-N 3.11Å; Y653-K655 VanDerWaalsContact C-N 3.28Å; Y653-K655 PolarHBondContact O-N 2.83Å; K655-Q658 PolarHBondContact O-N 3.4Å; K655-V659 WeakPolarHBondContact O-CG2 3.47Å; K655-V659 PolarHBondContact O-N 3.39Å |
| 656 | Q | 50.8 | Low | 50.6 | Low | 94 Ų | 94 | 109.6 Ų | 109.6 | 44% | 0.439 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -70.7 | -36.3 | 177.6 | -160.5 | 162.5 | 93.8 | 0 | 0 | 112.6 | Y652 Y653 Q658 V659 A660 | Y652-Q656 VanDerWaalsContact CZ-NE2 3.28Å; Y652-Q656 WeakPolarHBondContact O-CB 3.48Å; Y652-Q656 PolarHBondContact O-N 3.13Å; Y652-Q656 PolarHBondContact OH-NE2 3.13Å; Y653-Q656 PolarHBondContact O-N 3.2Å; Q656-Q658 PolarHBondContact O-N 3.1Å; Q656-V659 PolarHBondContact O-N 3.49Å; Q656-A660 PolarHBondContact O-N 3.31Å |
| 657 | A | 53 | Low | 49.7 | Very low | 59 Ų | 59 | 110.5 Ų | 110.5 | 49% | 0.488 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66.3 | -32.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y653 A660 T661 | Y653-A657 PolarHBondContact O-N 2.95Å; A657-A660 PolarHBondContact O-N 3.04Å; A657-T661 PolarHBondContact O-OG1 3.46Å |
| 658 | Q | 48.3 | Very low | 49 | Very low | 136 Ų | 136 | 108.1 Ų | 108.1 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.2 | -30.1 | 175.4 | -76.4 | 180 | -24.6 | 0 | 0 | 113.3 | K654 K655 Q656 A660 | K654-Q658 WeakPolarHBondContact O-CG 3.36Å; K654-Q658 PolarHBondContact O-N 2.87Å; K655-Q658 PolarHBondContact O-N 3.4Å; Q656-Q658 PolarHBondContact O-N 3.1Å; Q658-A660 VanDerWaalsContact C-N 3.34Å |
| 659 | V | 50.1 | Low | 48.3 | Very low | 118 Ų | 118 | 111.7 Ų | 111.7 | 72% | 0.715 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -75 | -25.2 | 175.4 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | K655 Q656 T661 | K655-V659 WeakPolarHBondContact O-CG2 3.47Å; K655-V659 PolarHBondContact O-N 3.39Å; Q656-V659 PolarHBondContact O-N 3.49Å; V659-T661 VanDerWaalsContact C-N 3.35Å |
| 660 | A | 45 | Very low | 47.7 | Very low | 86 Ų | 86 | 107.6 Ų | 107.6 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -9.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q656 A657 Q658 | Q656-A660 PolarHBondContact O-N 3.31Å; A657-A660 PolarHBondContact O-N 3.04Å; Q658-A660 VanDerWaalsContact C-N 3.34Å |
| 661 | T | 46.6 | Very low | 46.8 | Very low | 120 Ų | 120 | 107.4 Ų | 107.4 | 74% | 0.736 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -123.9 | 4.4 | -166.9 | 46.9 | 0 | 0 | 0 | 0 | 115.5 | A657 V659 | A657-T661 PolarHBondContact O-OG1 3.46Å; V659-T661 VanDerWaalsContact C-N 3.35Å |
| 662 | G | 35.7 | Very low | 45.3 | Very low | 63 Ų | 63 | 108.7 Ų | 108.7 | 65% | 0.649 | 69% | 0.692 | S | S | * | * | trans | -152.1 | 124.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 663 | G | 33.8 | Very low | 44.7 | Very low | 77 Ų | 77 | 108.3 Ų | 108.3 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | trans | 117 | 78.8 | 147.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 664 | G | 35.8 | Very low | 44 | Very low | 63 Ų | 63 | 106.5 Ų | 106.5 | 65% | 0.649 | 70% | 0.701 | S | S | * | * | 61.8 | 139.4 | 129.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | G666 | G664-G666 PolarHBondContact O-N 3.05Š| |||
| 665 | P | 32.7 | Very low | 43 | Very low | 145 Ų | 145 | 104.9 Ų | 104.9 | 94% | 0.942 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 110.1 | 173.8 | 31.1 | -32.8 | 0 | 0 | 0 | 110.9 | ||
| 666 | G | 35.6 | Very low | 42.6 | Very low | 79 Ų | 79 | 100.6 Ų | 100.6 | 81% | 0.814 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 157.4 | -8.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | G664 | G664-G666 PolarHBondContact O-N 3.05Š|
| 667 | A | 38.4 | Very low | 42.7 | Very low | 86 Ų | 86 | 99.4 Ų | 99.4 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | trans | -85.8 | 136.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 668 | P | 40 | Very low | 42.9 | Very low | 111 Ų | 111 | 99.3 Ų | 99.3 | 72% | 0.721 | 69% | 0.686 | S | S | * | * | trans | -66.8 | 151.9 | 171 | 29.7 | -34.4 | 0 | 0 | 0 | 110.5 | G670 | P668-G670 PolarHBondContact O-N 3.07Š| ||
| 669 | P | 43.3 | Very low | 43 | Very low | 134 Ų | 134 | 99.9 Ų | 99.9 | 87% | 0.87 | 68% | 0.683 | S | S | * | * | trans | -63.2 | 109.2 | -179.5 | 25.8 | -33.6 | 0 | 0 | 0 | 110.3 | ||||
| 670 | G | 37.2 | Very low | 43.6 | Very low | 72 Ų | 72 | 96.4 Ų | 96.4 | 74% | 0.742 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 138.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P668 Q672 | P668-G670 PolarHBondContact O-N 3.07Å; G670-Q672 PolarHBondContact O-N 3.33Å |
| 671 | S | 39.9 | Very low | 44.4 | Very low | 117 Ų | 117 | 97.5 Ų | 97.5 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 130 | 179.5 | 51.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 672 | Q | 36.1 | Very low | 45.1 | Very low | 174 Ų | 174 | 97.4 Ų | 97.4 | 81% | 0.813 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 141.1 | 167.7 | -89.3 | -132.6 | -47.2 | 0 | 0 | 110.8 | G670 D674 | G670-Q672 PolarHBondContact O-N 3.33Å; Q672-D674 PolarHBondContact O-N 3.38Å |
| 673 | P | 46.1 | Very low | 46.1 | Very low | 81 Ų | 81 | 101.4 Ų | 101.4 | 53% | 0.526 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 126.2 | 168.2 | -18.5 | 31.1 | 0 | 0 | 0 | 110 | Y675 | P673-Y675 HydrophobicContact CB-CD2 4.48Å; P673-Y675 HydrophobicContact CB-CE2 3.87Å; P673-Y675 HydrophobicContact CG-CE2 4.37Å; P673-Y675 WeakPolarHBondContact O-CD2 3.27Å; P673-Y675 WeakPolarHBondContact O-CE2 3.2Å; P673-Y675 PolarHBondContact O-N 3.19Å |
| 674 | D | 44 | Very low | 47.5 | Very low | 114 Ų | 114 | 105.4 Ų | 105.4 | 61% | 0.61 | 63% | 0.632 | S | S | * | * | trans | -80.5 | 100.1 | 177.8 | -173.2 | 2.4 | 0 | 0 | 0 | 110.6 | Q672 S676 | Q672-D674 PolarHBondContact O-N 3.38Å; D674-S676 PolarHBondContact O-N 3.13Å; D674-S676 WeakPolarHBondContact OD1-CB 3.47Å; D674-S676 PolarHBondContact OD1-N 2.94Å; D674-S676 PolarHBondContact OD1-OG 3.12Å | ||
| 675 | Y | 47.1 | Very low | 48.7 | Very low | 119 Ų | 119 | 108.8 Ų | 108.8 | 47% | 0.467 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.5 | 1.1 | 177.5 | -64.6 | -81.4 | 0 | 0 | 0 | 113.5 | P673 A677 A678 W679 | P673-Y675 HydrophobicContact CB-CD2 4.48Å; P673-Y675 HydrophobicContact CB-CE2 3.87Å; P673-Y675 HydrophobicContact CG-CE2 4.37Å; P673-Y675 WeakPolarHBondContact O-CD2 3.27Å; P673-Y675 WeakPolarHBondContact O-CE2 3.2Å; P673-Y675 PolarHBondContact O-N 3.19Å; Y675-A677 PolarHBondContact O-N 2.94Å; Y675-A678 PolarHBondContact O-N 2.9Å; Y675-A678 VanDerWaalsContact O-N 3.13Å; Y675-W679 PolarHBondContact O-N 3.13Å |
| 676 | S | 56.3 | Low | 49.4 | Very low | 65 Ų | 65 | 105.7 Ų | 105.7 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -57.7 | -36.2 | -177.3 | -56.6 | 0 | 0 | 0 | 0 | 112.6 | D674 A680 | D674-S676 PolarHBondContact O-N 3.13Å; D674-S676 WeakPolarHBondContact OD1-CB 3.47Å; D674-S676 PolarHBondContact OD1-N 2.94Å; D674-S676 PolarHBondContact OD1-OG 3.12Å; S676-A680 WeakPolarHBondContact O-CB 3.31Å; S676-A680 PolarHBondContact O-N 2.96Å |
| 677 | A | 52.2 | Low | 50.1 | Low | 68 Ų | 68 | 104.6 Ų | 104.6 | 56% | 0.562 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.4 | -46.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y675 A680 E681 | Y675-A677 PolarHBondContact O-N 2.94Å; A677-A680 PolarHBondContact O-N 3.38Å; A677-E681 PolarHBondContact O-N 2.83Å |
| 678 | A | 57.2 | Low | 50.8 | Low | 57 Ų | 57 | 104 Ų | 104 | 47% | 0.471 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.1 | -41.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y675 E681 Y682 | Y675-A678 PolarHBondContact O-N 2.9Å; Y675-A678 VanDerWaalsContact O-N 3.13Å; A678-E681 PolarHBondContact O-N 2.91Å; A678-Y682 PolarHBondContact O-N 3.35Å |
| 679 | W | 50.2 | Low | 51 | Low | 149 Ų | 149 | 108 Ų | 108 | 56% | 0.564 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.9 | -39 | 173.2 | -78.3 | 109.3 | 0 | 0 | 0 | 112.5 | Y675 E681 Y682 Y683 | Y675-W679 PolarHBondContact O-N 3.13Å; W679-E681 VanDerWaalsContact C-N 3.3Å; W679-E681 PolarHBondContact O-N 3.31Å; W679-Y682 HydrophobicContact CE3-CD1 4.06Å; W679-Y682 HydrophobicContact CZ3-CD1 4.04Å; W679-Y682 HydrophobicContact CZ3-CE1 4.17Å; W679-Y682 PolarHBondContact O-N 3.21Å; W679-Y683 HydrophobicContact CE3-CD2 4.47Å; W679-Y683 HydrophobicContact CE3-CE2 4.05Å; W679-Y683 WeakPolarHBondContact O-CD2 3.29Å; W679-Y683 PolarHBondContact O-N 2.86Å |
| 680 | A | 61.7 | Low | 51.1 | Low | 45 Ų | 45 | 110.8 Ų | 110.8 | 37% | 0.372 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69 | -24.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S676 A677 R684 | S676-A680 WeakPolarHBondContact O-CB 3.31Å; S676-A680 PolarHBondContact O-N 2.96Å; A677-A680 PolarHBondContact O-N 3.38Å; A680-R684 WeakPolarHBondContact O-CB 3.37Å; A680-R684 WeakPolarHBondContact O-CG 3.05Å; A680-R684 PolarHBondContact O-N 3.43Å; A680-R684 PolarHBondContact O-NE 2.88Å |
| 681 | E | 61.6 | Low | 51.6 | Low | 109 Ų | 109 | 109.6 Ų | 109.6 | 51% | 0.509 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -78.9 | -42.4 | 169.9 | -74.6 | -172.1 | 159.6 | 0 | 0 | 112.2 | A677 A678 W679 Y683 R684 Q685 | A677-E681 PolarHBondContact O-N 2.83Å; A678-E681 PolarHBondContact O-N 2.91Å; W679-E681 VanDerWaalsContact C-N 3.3Å; W679-E681 PolarHBondContact O-N 3.31Å; E681-Y683 PolarHBondContact O-N 3.42Å; E681-R684 PolarHBondContact O-N 2.78Å; E681-Q685 PolarHBondContact O-N 3.03Å |
| 682 | Y | 63.1 | Low | 51.5 | Low | 117 Ų | 117 | 112.8 Ų | 112.8 | 46% | 0.459 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -55.7 | -50.4 | 173.8 | 176 | -96.6 | 0 | 0 | 0 | 111.9 | A678 W679 R684 Q685 Q686 | A678-Y682 PolarHBondContact O-N 3.35Å; W679-Y682 HydrophobicContact CE3-CD1 4.06Å; W679-Y682 HydrophobicContact CZ3-CD1 4.04Å; W679-Y682 HydrophobicContact CZ3-CE1 4.17Å; W679-Y682 PolarHBondContact O-N 3.21Å; Y682-R684 PolarHBondContact O-N 3.11Å; Y682-Q685 PolarHBondContact O-N 3.16Å; Y682-Q686 PolarHBondContact O-N 3.4Å; Y682-Q686 PolarHBondContact OH-NE2 2.99Å |
| 683 | Y | 56.1 | Low | 51.5 | Low | 147 Ų | 147 | 110.4 Ų | 110.4 | 58% | 0.576 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.2 | -32 | 177.1 | -82.4 | -71.2 | 0 | 0 | 0 | 113.1 | W679 E681 A687 | W679-Y683 HydrophobicContact CE3-CD2 4.47Å; W679-Y683 HydrophobicContact CE3-CE2 4.05Å; W679-Y683 WeakPolarHBondContact O-CD2 3.29Å; W679-Y683 PolarHBondContact O-N 2.86Å; E681-Y683 PolarHBondContact O-N 3.42Å; Y683-A687 VanDerWaalsContact O-CB 3.29Å; Y683-A687 WeakPolarHBondContact O-CB 3.49Å; Y683-A687 PolarHBondContact O-N 2.73Å |
| 684 | R | 62.7 | Low | 51.1 | Low | 162 Ų | 162 | 112.6 Ų | 112.6 | 61% | 0.611 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66 | -40.5 | 171.7 | -92.3 | -178.1 | -71.2 | 174.5 | 2 | 112.5 | A680 E681 Y682 A687 A688 | A680-R684 WeakPolarHBondContact O-CB 3.37Å; A680-R684 WeakPolarHBondContact O-CG 3.05Å; A680-R684 PolarHBondContact O-N 3.43Å; A680-R684 PolarHBondContact O-NE 2.88Å; E681-R684 PolarHBondContact O-N 2.78Å; Y682-R684 PolarHBondContact O-N 3.11Å; R684-A687 PolarHBondContact O-N 3.17Å; R684-A688 WeakPolarHBondContact O-CB 3.4Å; R684-A688 PolarHBondContact O-N 3.28Å |
| 685 | Q | 61.1 | Low | 50.8 | Low | 134 Ų | 134 | 109.8 Ų | 109.8 | 63% | 0.626 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.1 | -39 | 177.2 | -72.3 | -176.4 | 22.3 | 0 | 0 | 111.7 | E681 Y682 A688 Y689 | E681-Q685 PolarHBondContact O-N 3.03Å; Y682-Q685 PolarHBondContact O-N 3.16Å; Q685-A688 PolarHBondContact O-N 3.32Å; Q685-Y689 WeakPolarHBondContact O-CB 3.36Å; Q685-Y689 PolarHBondContact O-N 3.29Å |
| 686 | Q | 47.7 | Very low | 50.3 | Low | 80 Ų | 80 | 111.1 Ų | 111.1 | 37% | 0.374 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.1 | -41.7 | 171.7 | -95.1 | 177.5 | 24.8 | 0 | 0 | 112.9 | Y682 A688 Y689 Y690 | Y682-Q686 PolarHBondContact O-N 3.4Å; Y682-Q686 PolarHBondContact OH-NE2 2.99Å; Q686-A688 VanDerWaalsContact C-N 3.3Å; Q686-A688 PolarHBondContact O-N 3.07Å; Q686-Y689 PolarHBondContact O-N 2.65Å; Q686-Y689 VanDerWaalsContact O-N 3.16Å; Q686-Y690 WeakPolarHBondContact O-CD2 3.26Å; Q686-Y690 PolarHBondContact O-N 3.35Å; Q686-Y690 VanDerWaalsContact O-N 3.12Å |
| 687 | A | 50.3 | Low | 49.4 | Very low | 55 Ų | 55 | 111.4 Ų | 111.4 | 46% | 0.455 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63 | -36.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y683 R684 G691 | Y683-A687 VanDerWaalsContact O-CB 3.29Å; Y683-A687 WeakPolarHBondContact O-CB 3.49Å; Y683-A687 PolarHBondContact O-N 2.73Å; R684-A687 PolarHBondContact O-N 3.17Å; A687-G691 WeakPolarHBondContact O-CA 3.31Å; A687-G691 PolarHBondContact O-N 2.91Å |
| 688 | A | 52.4 | Low | 48.5 | Very low | 73 Ų | 73 | 111.7 Ų | 111.7 | 60% | 0.603 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69 | -31.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | R684 Q685 Q686 | R684-A688 WeakPolarHBondContact O-CB 3.4Å; R684-A688 PolarHBondContact O-N 3.28Å; Q685-A688 PolarHBondContact O-N 3.32Å; Q686-A688 VanDerWaalsContact C-N 3.3Å; Q686-A688 PolarHBondContact O-N 3.07Å |
| 689 | Y | 43.7 | Very low | 47.5 | Very low | 195 Ų | 195 | 115.2 Ų | 115.2 | 77% | 0.765 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.1 | -30.8 | 178.7 | -156.8 | -91.8 | 0 | 0 | 0 | 113.1 | Q685 Q686 | Q685-Y689 WeakPolarHBondContact O-CB 3.36Å; Q685-Y689 PolarHBondContact O-N 3.29Å; Q686-Y689 PolarHBondContact O-N 2.65Å; Q686-Y689 VanDerWaalsContact O-N 3.16Å |
| 690 | Y | 46.9 | Very low | 46.8 | Very low | 193 Ų | 193 | 117.1 Ų | 117.1 | 76% | 0.757 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -105.6 | -5.1 | 178.3 | -70.9 | -79.4 | 0 | 0 | 0 | 114.4 | Q686 | Q686-Y690 WeakPolarHBondContact O-CD2 3.26Å; Q686-Y690 PolarHBondContact O-N 3.35Å; Q686-Y690 VanDerWaalsContact O-N 3.12Å |
| 691 | G | 47 | Very low | 46 | Very low | 48 Ų | 48 | 120.5 Ų | 120.5 | 50% | 0.495 | 68% | 0.675 | S | S | . | * | trans | -90.2 | 0.8 | -171 | 0 | 0 | 0 | 0 | 0 | 116.8 | A687 T693 | A687-G691 WeakPolarHBondContact O-CA 3.31Å; A687-G691 PolarHBondContact O-N 2.91Å; G691-T693 PolarHBondContact O-N 2.78Å | ||
| 692 | Q | 37.5 | Very low | 44.8 | Very low | 184 Ų | 184 | 121.4 Ų | 121.4 | 86% | 0.86 | 69% | 0.691 | S | S | * | * | trans | -76.4 | 88.7 | 170.6 | -84.5 | -169.4 | 35.7 | 0 | 0 | 110.8 | ||||
| 693 | T | 35.8 | Very low | 43.5 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 76% | 0.761 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 139.3 | 169 | 51.6 | 0 | 0 | 0 | 0 | 111.1 | G691 | G691-T693 PolarHBondContact O-N 2.78Š|
| 694 | P | 39 | Very low | 42.5 | Very low | 126 Ų | 126 | 120.9 Ų | 120.9 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 118.1 | 148.5 | -7.9 | 26.4 | 0 | 0 | 0 | 108.2 | ||
| 695 | G | 36.7 | Very low | 41.4 | Very low | 55 Ų | 55 | 122.4 Ų | 122.4 | 57% | 0.567 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 161.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G697 | G695-G697 PolarHBondContact O-N 3.32Š|
| 696 | P | 36 | Very low | 40.1 | Very low | 148 Ų | 148 | 125.2 Ų | 125.2 | 96% | 0.961 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -68.7 | 97.3 | -175.3 | 28.2 | -34.5 | 0 | 0 | 0 | 111.2 | ||
| 697 | G | 37.4 | Very low | 39.6 | Very low | 70 Ų | 70 | 124.6 Ų | 124.6 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | -171 | 36.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | G695 | G695-G697 PolarHBondContact O-N 3.32Š| ||
| 698 | G | 34.3 | Very low | 39.1 | Very low | 75 Ų | 75 | 130.2 Ų | 130.2 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | 71.3 | -177.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 699 | P | 37.1 | Very low | 38.4 | Very low | 131 Ų | 131 | 133 Ų | 133 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | cis | -112.8 | 154.4 | 9 | 29.7 | -12.8 | 0 | 0 | 0 | 115.2 | ||||
| 700 | Q | 33.7 | Very low | 38.1 | Very low | 188 Ų | 188 | 132.1 Ų | 132.1 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 141.8 | 171.1 | -71.8 | 174.2 | -97.8 | 0 | 0 | 112.3 | ||
| 701 | P | 45.1 | Very low | 37.8 | Very low | 116 Ų | 116 | 127 Ų | 127 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 158.2 | 147.4 | 30.1 | -23.9 | 0 | 0 | 0 | 111.5 | ||
| 702 | P | 37.3 | Very low | 37.5 | Very low | 129 Ų | 129 | 130 Ų | 130 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 164.1 | -144.1 | 35.8 | -38 | 0 | 0 | 0 | 116.5 | ||
| 703 | S | 36 | Very low | 37.6 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 159.1 | 172.2 | 44.2 | 0 | 0 | 0 | 0 | 114 | ||
| 704 | T | 34.8 | Very low | 38.1 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -39.4 | 136.5 | 179.4 | 28.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 705 | Q | 38.9 | Very low | 38.3 | Very low | 195 Ų | 195 | 128.9 Ų | 128.9 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -146.8 | 157 | 140.9 | -148.7 | 166.5 | 94.8 | 0 | 0 | 112.2 | ||||
| 706 | Q | 35.2 | Very low | 38.5 | Very low | 193 Ų | 193 | 129.7 Ų | 129.7 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -85.7 | 158.6 | -165.4 | -60.9 | 160.1 | -31.9 | 0 | 0 | 113.6 | ||||
| 707 | G | 36.3 | Very low | 39 | Very low | 66 Ų | 66 | 132.7 Ų | 132.7 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | trans | 143.2 | 107.4 | 137.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 708 | Q | 38.9 | Very low | 39.1 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | 66.2 | 151.3 | 144.1 | -55.9 | -177.2 | 13.4 | 0 | 0 | 117.6 | ||||
| 709 | Q | 38.3 | Very low | 39.6 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 61% | 0.607 | 79% | 0.785 | S | S | * | * | cis | -166 | 140.2 | -12.2 | -110.9 | 176.5 | 67 | 0 | 0 | 106.7 | ||||
| 710 | Q | 38.3 | Very low | 40 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | 59.1 | 148.9 | 155.8 | -63.1 | 166 | 14.4 | 0 | 0 | 117.6 | ||||
| 711 | A | 40.8 | Very low | 40.4 | Very low | 86 Ų | 86 | 144.9 Ų | 144.9 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | cis | -156.5 | -171.5 | -19.8 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 712 | T | 41 | Very low | 40.2 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 68% | 0.681 | 80% | 0.803 | S | S | * | * | cis | -156 | 167.2 | 8.3 | -24.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 713 | E | 39.2 | Very low | 40.3 | Very low | 181 Ų | 181 | 147.2 Ų | 147.2 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | 37.8 | 143.6 | 145.9 | -75.4 | 163.1 | 147.4 | 0 | 0 | 122.2 | ||||
| 714 | A | 44.8 | Very low | 40.5 | Very low | 82 Ų | 82 | 149.2 Ų | 149.2 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | cis | -167.8 | -172.3 | -2.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 715 | N | 43.2 | Very low | 40.9 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | 75.6 | 93.4 | 171.2 | -61.2 | -19.3 | 0 | 0 | 0 | 117.3 | Y717 | N715-Y717 HydrophobicContact CB-CE1 4.45Š| ||
| 716 | G | 42.3 | Very low | 41 | Very low | 73 Ų | 73 | 146.9 Ų | 146.9 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -101.1 | 157.6 | 143.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 717 | Y | 45.8 | Very low | 41.4 | Very low | 211 Ų | 211 | 143.8 Ų | 143.8 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | -149.4 | 122.5 | 155.1 | 27 | -96.8 | 0 | 0 | 0 | 109.8 | N715 | N715-Y717 HydrophobicContact CB-CE1 4.45Š| ||
| 718 | E | 40.7 | Very low | 41.8 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -72.9 | 160.1 | 168.4 | -170.6 | -174 | 133.1 | 0 | 0 | 110 | ||||
| 719 | L | 43.6 | Very low | 42 | Very low | 137 Ų | 137 | 147.5 Ų | 147.5 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | 148.7 | 126 | 135.2 | -76.4 | 164.4 | 0 | 0 | 0 | 113.6 | ||||
| 720 | H | 45.3 | Very low | 42.3 | Very low | 169 Ų | 169 | 148.9 Ų | 148.9 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | trans | 45.8 | 99.8 | 144.9 | -69.2 | 80 | 0 | 0 | 0 | 120.5 | ||||
| 721 | L | 42.5 | Very low | 42.6 | Very low | 245 Ų | 245 | 146.3 Ų | 146.3 | 100% | 1.283 | 80% | 0.804 | S | S | * | * | -160.5 | 0 | 102.7 | -111.2 | 158 | 0 | 0 | 0 | 111.6 |
Retrieved 721 of 721 residues in 227.1 ms
(Link to these results)