| 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 | 42.4 | Very low | 38.9 | Very low | 244 Ų | 244 | 129.9 Ų | 129.9 | 100% | 1.202 | 91% | 0.907 | S | S | * | * | 0 | 137.3 | 0 | -76.1 | 77.6 | 176.6 | 0 | 0 | 109.3 | |||||
| 2 | R | 40.8 | Very low | 39 | Very low | 253 Ų | 253 | 127.5 Ų | 127.5 | 96% | 0.955 | 89% | 0.891 | S | S | * | * | trans | -70.7 | 150.5 | 171.2 | -75.3 | 171.2 | 159.2 | -174 | -6.2 | 111 | ||||
| 3 | A | 38.9 | Very low | 39 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 86% | 0.86 | 89% | 0.886 | S | S | * | * | trans | -166.3 | 136.5 | 130.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 4 | A | 41.2 | Very low | 39.4 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 85% | 0.851 | 87% | 0.872 | S | S | * | * | trans | -106.6 | 158.5 | 172 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 5 | A | 42.8 | Very low | 39.6 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 90% | 0.901 | 87% | 0.873 | S | S | * | * | trans | -170.3 | 144.8 | 143.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 6 | A | 43.2 | Very low | 39.4 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 93% | 0.926 | 87% | 0.865 | S | S | * | * | trans | -108 | 168.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 7 | G | 35.4 | Very low | 39.3 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 86% | 0.856 | 86% | 0.86 | S | S | * | * | trans | 168.5 | 134.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 8 | G | 34.1 | Very low | 39.3 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 93% | 0.928 | 86% | 0.863 | S | S | * | * | cis | 124.9 | 113.2 | 13.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 9 | G | 33.3 | Very low | 38.8 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 74% | 0.742 | 86% | 0.858 | S | S | * | * | trans | 144.7 | 102.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 10 | L | 40.9 | Very low | 38.8 | Very low | 179 Ų | 179 | 129.1 Ų | 129.1 | 94% | 0.937 | 86% | 0.856 | S | S | * | * | 60.9 | 106.6 | 56.5 | -68.4 | 171 | 0 | 0 | 0 | 114.3 | |||||
| 11 | G | 34.5 | Very low | 38.8 | Very low | 80 Ų | 80 | 129.8 Ų | 129.8 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | trans | -157.7 | 102.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 12 | S | 40.3 | Very low | 38.2 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 71% | 0.706 | 83% | 0.834 | S | S | * | * | trans | -90.1 | 165.2 | 172.7 | -66.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 13 | D | 39.4 | Very low | 38.1 | Very low | 155 Ų | 155 | 118.8 Ų | 118.8 | 83% | 0.829 | 82% | 0.824 | S | S | * | * | trans | 142.5 | 104.5 | 142.8 | -68 | -18.3 | 0 | 0 | 0 | 108.7 | ||||
| 14 | L | 44.8 | Very low | 38.4 | Very low | 131 Ų | 131 | 119.7 Ų | 119.7 | 69% | 0.686 | 82% | 0.821 | S | S | * | * | 69.5 | 104.6 | 55.4 | -149.8 | 93.5 | 0 | 0 | 0 | 114 | |||||
| 15 | N | 41.8 | Very low | 38.1 | Very low | 168 Ų | 168 | 124.1 Ų | 124.1 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | trans | -157.9 | 99.1 | 152.2 | -80.3 | -38.1 | 0 | 0 | 0 | 105.5 | ||||
| 16 | H | 37 | Very low | 37.7 | Very low | 159 Ų | 159 | 121.9 Ų | 121.9 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | 58.6 | 111.5 | 71.9 | -89.6 | 93.5 | 0 | 0 | 0 | 117.5 | |||||
| 17 | A | 37.4 | Very low | 37.2 | Very low | 95 Ų | 95 | 128 Ų | 128 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | 146.5 | 110.3 | 139.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 18 | A | 38.4 | Very low | 37.3 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | cis | 76.3 | 124.8 | 48 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 19 | G | 31.3 | Very low | 37.4 | Very low | 74 Ų | 74 | 135.7 Ų | 135.7 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | trans | 132.1 | 91.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 20 | L | 38.8 | Very low | 38.1 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | 65.3 | 111.2 | 58.4 | -118.1 | 92.7 | 0 | 0 | 0 | 115.9 | |||||
| 21 | L | 38.2 | Very low | 38 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | 84.1 | 138.3 | 142.3 | -69.7 | 175.6 | 0 | 0 | 0 | 123.5 | ||||
| 22 | E | 29 | Very low | 38.7 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | 95.7 | 118.6 | 146.4 | -80.1 | 172.5 | 154.4 | 0 | 0 | 120.5 | ||||
| 23 | A | 40.2 | Very low | 39 | Very low | 90 Ų | 90 | 140.8 Ų | 140.8 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | trans | -63.2 | 169 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 24 | P | 44.6 | Very low | 39.5 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | -137.4 | 155.2 | 114.7 | 28.2 | -11.8 | 0 | 0 | 0 | 114.8 | |||||
| 25 | E | 35.6 | Very low | 39.6 | Very low | 195 Ų | 195 | 141.7 Ų | 141.7 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -34.8 | 156.1 | 157.3 | -68.3 | 162.5 | 91.5 | 0 | 0 | 113.9 | ||||
| 26 | G | 32.6 | Very low | 39.8 | Very low | 63 Ų | 63 | 138.7 Ų | 138.7 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | cis | 163.6 | -166.9 | 13.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 27 | R | 33.4 | Very low | 40.1 | Very low | 241 Ų | 241 | 137.4 Ų | 137.4 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | 93.1 | 130.4 | -175.3 | -60.7 | 173.9 | 161.5 | -162.5 | -7.3 | 114 | ||||
| 28 | D | 38.3 | Very low | 40.6 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | cis | -177.1 | 139.7 | -19.3 | -123.9 | -39.9 | 0 | 0 | 0 | 103 | ||||
| 29 | F | 35.4 | Very low | 40.8 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 89% | 0.886 | 79% | 0.794 | S | S | * | * | trans | 166.4 | 132.6 | 133.1 | -90.2 | -67.5 | 0 | 0 | 0 | 110.4 | ||||
| 30 | P | 48.2 | Very low | 41.4 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | trans | -96.5 | 143.7 | -170.3 | 36.9 | -29.4 | 0 | 0 | 0 | 111.2 | ||||
| 31 | V | 39.9 | Very low | 41.6 | Very low | 145 Ų | 145 | 150.5 Ų | 150.5 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -125.7 | 108.5 | 158.6 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 32 | T | 47.6 | Very low | 41.8 | Very low | 120 Ų | 120 | 152.2 Ų | 152.2 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 134.8 | 173.1 | 43.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 33 | L | 48.2 | Very low | 42.3 | Very low | 169 Ų | 169 | 152 Ų | 152 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 141.1 | 158.5 | -81.9 | 102.7 | 0 | 0 | 0 | 110.1 | ||
| 34 | P | 48.5 | Very low | 42.7 | Very low | 125 Ų | 125 | 156.2 Ų | 156.2 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 125.8 | 153.8 | 9.3 | 10.2 | 0 | 0 | 0 | 110.3 | ||
| 35 | E | 46.4 | Very low | 42.6 | Very low | 179 Ų | 179 | 156.4 Ų | 156.4 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 140.4 | 157.7 | -106.9 | -168.9 | 136.9 | 0 | 0 | 110.6 | ||
| 36 | V | 46.9 | Very low | 42.9 | Very low | 106 Ų | 106 | 152.1 Ų | 152.1 | 64% | 0.642 | 80% | 0.795 | S | S | * | * | trans | 55 | 103.3 | 148.9 | -163.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 37 | V | 42.3 | Very low | 43.7 | Very low | 132 Ų | 132 | 157.3 Ų | 157.3 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -133.9 | 108.8 | 135 | -93.2 | 0 | 0 | 0 | 0 | 107.7 | D39 | V37-D39 PolarHBondContact O-N 3.43Š| ||
| 38 | E | 49.4 | Very low | 44.7 | Very low | 182 Ų | 182 | 151.7 Ų | 151.7 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -65.2 | 113.5 | 161.8 | -78.9 | 176.3 | 96.6 | 0 | 0 | 108.1 | ||||
| 39 | D | 41.9 | Very low | 45.2 | Very low | 143 Ų | 143 | 154.7 Ų | 154.7 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | trans | -133 | 100 | 164.9 | -83.2 | -46.7 | 0 | 0 | 0 | 109.3 | V37 | V37-D39 PolarHBondContact O-N 3.43Š| ||
| 40 | K | 44.2 | Very low | 46.1 | Very low | 195 Ų | 195 | 148.7 Ų | 148.7 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | 30.1 | 114 | 149.9 | -73.6 | 175.2 | 174.9 | 169.3 | 0 | 118.5 | Q42 | K40-Q42 PolarHBondContact O-N 2.57Š| ||
| 41 | E | 41.8 | Very low | 46.7 | Very low | 192 Ų | 192 | 149.8 Ų | 149.8 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -28.5 | 114.3 | 151.2 | -59.8 | 167.5 | 132.8 | 0 | 0 | 112.3 | ||||
| 42 | Q | 43.1 | Very low | 47.4 | Very low | 180 Ų | 180 | 153 Ų | 153 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -113.3 | 81.1 | 159.2 | -164.3 | 157.5 | 69.3 | 0 | 0 | 106.5 | K40 E44 | K40-Q42 PolarHBondContact O-N 2.57Å; Q42-E44 VanDerWaalsContact C-N 3.29Å; Q42-E44 PolarHBondContact O-N 3.38Å | ||
| 43 | E | 39.9 | Very low | 47.6 | Very low | 172 Ų | 172 | 154.3 Ų | 154.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -72.8 | 86.5 | 169 | -167 | 175.6 | -179.2 | 0 | 0 | 107.6 | ||||
| 44 | E | 47.9 | Very low | 48 | Very low | 179 Ų | 179 | 150.1 Ų | 150.1 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -98.9 | 79.9 | 162.6 | -171 | -175.1 | 145.7 | 0 | 0 | 107.8 | Q42 | Q42-E44 VanDerWaalsContact C-N 3.29Å; Q42-E44 PolarHBondContact O-N 3.38Å | ||
| 45 | D | 43.8 | Very low | 48.2 | Very low | 127 Ų | 127 | 151.5 Ų | 151.5 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | trans | -156.6 | 81.9 | 153.5 | -161.8 | 17.8 | 0 | 0 | 0 | 109.6 | ||||
| 46 | S | 42 | Very low | 48.5 | Very low | 106 Ų | 106 | 152.2 Ų | 152.2 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -118.6 | 80.6 | 167 | -55.1 | 0 | 0 | 0 | 0 | 107.4 | P48 | S46-P48 WeakPolarHBondContact O-CD 3.25Å; S46-P48 VanDerWaalsContact O-N 3.14Å | ||
| 47 | E | 48.8 | Very low | 48.5 | Very low | 171 Ų | 171 | 154.9 Ų | 154.9 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -50.1 | 118.2 | 165.6 | -73.7 | -160.5 | 146.3 | 0 | 0 | 109.2 | Y49 | E47-Y49 PolarHBondContact O-N 3.05Å; E47-Y49 VanDerWaalsContact O-N 3.13Å | ||
| 48 | P | 55.1 | Low | 48.6 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | trans | -69.8 | 117 | 177.2 | -16.4 | 30.8 | 0 | 0 | 0 | 108.7 | S46 | S46-P48 WeakPolarHBondContact O-CD 3.25Å; S46-P48 VanDerWaalsContact O-N 3.14Å | ||
| 49 | Y | 49 | Very low | 48.4 | Very low | 195 Ų | 195 | 153.2 Ų | 153.2 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | -41.9 | 141.3 | 171.8 | -147.7 | -102 | 0 | 0 | 0 | 111.5 | E47 T51 | E47-Y49 PolarHBondContact O-N 3.05Å; E47-Y49 VanDerWaalsContact O-N 3.13Å; Y49-T51 PolarHBondContact O-N 2.97Å | ||
| 50 | P | 54 | Low | 49 | Very low | 75 Ų | 75 | 153.4 Ų | 153.4 | 49% | 0.487 | 77% | 0.766 | S | S | . | * | trans | -52.7 | 129.7 | -168.9 | -25.9 | 32.3 | 0 | 0 | 0 | 113.7 | W52 | P50-W52 PolarHBondContact O-N 3.14Š| ||
| 51 | T | 60.8 | Low | 49.2 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -65.2 | 14.9 | -175.4 | -13 | 0 | 0 | 0 | 0 | 114.8 | Y49 H53 | Y49-T51 PolarHBondContact O-N 2.97Å; T51-H53 VanDerWaalsContact C-N 3.29Å; T51-H53 PolarHBondContact O-N 2.89Å |
| 52 | W | 53.9 | Low | 49.4 | Very low | 211 Ų | 211 | 148.4 Ų | 148.4 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -77.3 | -11.1 | -177.7 | -64.8 | 103.7 | 0 | 0 | 0 | 113.9 | P50 A54 | P50-W52 PolarHBondContact O-N 3.14Å; W52-A54 VanDerWaalsContact C-N 3.28Å; W52-A54 PolarHBondContact O-N 3.24Å |
| 53 | H | 51.8 | Low | 49.7 | Very low | 149 Ų | 149 | 148.8 Ų | 148.8 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -77.1 | -8.8 | 177.2 | -73.1 | -79.4 | 0 | 0 | 0 | 114.2 | T51 L55 | T51-H53 VanDerWaalsContact C-N 3.29Å; T51-H53 PolarHBondContact O-N 2.89Å; H53-L55 PolarHBondContact O-N 2.95Å |
| 54 | A | 55.8 | Low | 49.9 | Very low | 81 Ų | 81 | 148 Ų | 148 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -85.4 | 0.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | W52 | W52-A54 VanDerWaalsContact C-N 3.28Å; W52-A54 PolarHBondContact O-N 3.24Å |
| 55 | L | 54 | Low | 49.6 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -106.7 | 4.5 | 177.2 | -67.3 | -180 | 0 | 0 | 0 | 114.1 | H53 | H53-L55 PolarHBondContact O-N 2.95Š|
| 56 | Y | 51.7 | Low | 49.3 | Very low | 194 Ų | 194 | 147.2 Ų | 147.2 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | trans | -113.4 | 74.8 | 172.3 | -158.3 | -96.9 | 0 | 0 | 0 | 109 | P58 | Y56-P58 HydrophobicContact CD1-CG 4.47Å; Y56-P58 VanDerWaalsContact O-CD 3.27Å; Y56-P58 WeakPolarHBondContact O-CD 3.39Å | ||
| 57 | E | 47.2 | Very low | 49.4 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | trans | -70.6 | 117.2 | 158.2 | -104.7 | -155.7 | 163.1 | 0 | 0 | 107.8 | F59 | E57-F59 PolarHBondContact O-N 3.3Š| ||
| 58 | P | 44.9 | Very low | 49.4 | Very low | 96 Ų | 96 | 147.5 Ų | 147.5 | 62% | 0.623 | 76% | 0.762 | S | S | * | * | trans | -70.5 | 114.4 | 166.9 | -7.5 | 25.6 | 0 | 0 | 0 | 106.8 | Y56 V60 | Y56-P58 HydrophobicContact CD1-CG 4.47Å; Y56-P58 VanDerWaalsContact O-CD 3.27Å; Y56-P58 WeakPolarHBondContact O-CD 3.39Å; P58-V60 PolarHBondContact O-N 3.16Å | ||
| 59 | F | 44.6 | Very low | 49.2 | Very low | 183 Ų | 183 | 147 Ų | 147 | 80% | 0.803 | 76% | 0.761 | S | S | * | * | trans | -54.6 | 105.3 | 164.4 | -75.8 | -93.2 | 0 | 0 | 0 | 108.6 | E57 V61 | E57-F59 PolarHBondContact O-N 3.3Å; F59-V61 PolarHBondContact O-N 2.69Å; F59-V61 VanDerWaalsContact O-N 3.13Å | ||
| 60 | V | 54.2 | Low | 49.3 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 89% | 0.891 | 76% | 0.759 | S | S | * | * | trans | -64.6 | 102.4 | 158.9 | -78.4 | 0 | 0 | 0 | 0 | 107 | P58 | P58-V60 PolarHBondContact O-N 3.16Š| ||
| 61 | V | 49.6 | Very low | 49.1 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | -106.8 | 120.5 | 162.4 | -68.6 | 0 | 0 | 0 | 0 | 107.4 | F59 | F59-V61 PolarHBondContact O-N 2.69Å; F59-V61 VanDerWaalsContact O-N 3.13Å | ||
| 62 | D | 45.1 | Very low | 48.3 | Very low | 156 Ų | 156 | 157 Ų | 157 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -42 | 134.5 | 174.8 | -125.7 | -125.6 | 0 | 0 | 0 | 111.9 | L64 | D62-L64 PolarHBondContact O-N 3Š| ||
| 63 | E | 49 | Very low | 47.9 | Very low | 188 Ų | 188 | 151.8 Ų | 151.8 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -56.2 | 129.1 | 165.3 | -86.2 | 173.2 | 84.1 | 0 | 0 | 110.7 | ||||
| 64 | L | 44.4 | Very low | 47.1 | Very low | 157 Ų | 157 | 148 Ų | 148 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -159.9 | 114 | 148.3 | -106.1 | 142.6 | 0 | 0 | 0 | 109.9 | D62 | D62-L64 PolarHBondContact O-N 3Š| ||
| 65 | D | 42.1 | Very low | 46.3 | Very low | 144 Ų | 144 | 156.4 Ų | 156.4 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 8.1 | 124.3 | 159.4 | -79.5 | -94.2 | 0 | 0 | 0 | 119.9 | ||||
| 66 | D | 37 | Very low | 45.8 | Very low | 145 Ų | 145 | 154.5 Ų | 154.5 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | 174.3 | 116.8 | 96.4 | -124.4 | -63.7 | 0 | 0 | 0 | 109.8 | |||||
| 67 | H | 44.2 | Very low | 45.7 | Very low | 177 Ų | 177 | 150.4 Ų | 150.4 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | -70.6 | 136.7 | 166.2 | -91.4 | -75.4 | 0 | 0 | 0 | 109.4 | ||||
| 68 | P | 49.8 | Very low | 45.4 | Very low | 106 Ų | 106 | 153.6 Ų | 153.6 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | -138.1 | 121.6 | 114.5 | 31.3 | -17.2 | 0 | 0 | 0 | 113 | V70 | P68-V70 HydrophobicContact CB-CG2 4.27Å; P68-V70 PolarHBondContact O-N 2.81Å; P68-V70 VanDerWaalsContact O-N 3.13Å | |||
| 69 | S | 50.4 | Low | 45.3 | Very low | 112 Ų | 112 | 154.6 Ų | 154.6 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -53.6 | 107.4 | 155 | 49 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 70 | V | 50.4 | Low | 45.2 | Very low | 121 Ų | 121 | 151.1 Ų | 151.1 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | -128.2 | 95.6 | 167.8 | -174 | 0 | 0 | 0 | 0 | 110.9 | P68 | P68-V70 HydrophobicContact CB-CG2 4.27Å; P68-V70 PolarHBondContact O-N 2.81Å; P68-V70 VanDerWaalsContact O-N 3.13Å | ||
| 71 | R | 50.3 | Low | 44.6 | Very low | 224 Ų | 224 | 151.9 Ų | 151.9 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | 1.3 | 123.5 | 150.4 | -79.7 | 171.7 | 168.7 | 162.9 | -3.1 | 116.8 | S73 | R71-S73 VanDerWaalsContact C-N 3.33Å; R71-S73 PolarHBondContact O-N 2.77Å; R71-S73 PolarHBondContact O-OG 2.79Å | ||
| 72 | W | 44.2 | Very low | 44.6 | Very low | 264 Ų | 264 | 151.3 Ų | 151.3 | 100% | 1 | 81% | 0.805 | S | S | * | * | trans | -48.4 | 98.9 | 150.4 | -67.1 | 88 | 0 | 0 | 0 | 109.4 | G74 | W72-G74 PolarHBondContact O-N 3.48Š| ||
| 73 | S | 44.8 | Very low | 44.2 | Very low | 103 Ų | 103 | 150.4 Ų | 150.4 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -81.6 | 108.6 | 179.1 | -65.6 | 0 | 0 | 0 | 0 | 107.4 | R71 | R71-S73 VanDerWaalsContact C-N 3.33Å; R71-S73 PolarHBondContact O-N 2.77Å; R71-S73 PolarHBondContact O-OG 2.79Å | ||
| 74 | G | 35.1 | Very low | 43.8 | Very low | 70 Ų | 70 | 145.6 Ų | 145.6 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | -52.9 | 137.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | W72 S76 | W72-G74 PolarHBondContact O-N 3.48Å; G74-S76 PolarHBondContact O-N 3.34Å; G74-S76 VanDerWaalsContact O-N 3.07Å | ||
| 75 | R | 40.4 | Very low | 43.9 | Very low | 256 Ų | 256 | 144 Ų | 144 | 97% | 0.966 | 80% | 0.798 | S | S | * | * | trans | -67.4 | 106.2 | 166.4 | -68 | 177.4 | -170.9 | -105.7 | 0.1 | 107.4 | ||||
| 76 | S | 43.5 | Very low | 44 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -133.5 | 112.5 | 160.3 | -166.2 | 0 | 0 | 0 | 0 | 108.7 | G74 | G74-S76 PolarHBondContact O-N 3.34Å; G74-S76 VanDerWaalsContact O-N 3.07Å | ||
| 77 | P | 48.6 | Very low | 44.5 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -137.1 | 147.1 | 140 | 19.6 | 0.5 | 0 | 0 | 0 | 109.8 | ||||
| 78 | R | 41 | Very low | 44 | Very low | 229 Ų | 229 | 145.2 Ų | 145.2 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | cis | -166.5 | 138.6 | 6.2 | -108.8 | 168.5 | 174.2 | -164.3 | -2.7 | 104.5 | ||||
| 79 | S | 42.4 | Very low | 43.4 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -62.2 | 133.9 | 160.6 | 52 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 80 | S | 41.7 | Very low | 42.6 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -156.1 | 90 | 157 | -64.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 81 | D | 43.5 | Very low | 42.2 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | -78.5 | 142 | 150.5 | -89.9 | -46.4 | 0 | 0 | 0 | 107.9 | ||||
| 82 | P | 48.6 | Very low | 41.6 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | -138.5 | 131.6 | 113.5 | 31.8 | -16.3 | 0 | 0 | 0 | 113.7 | |||||
| 83 | T | 36.8 | Very low | 41.2 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | 32.8 | 123.3 | 140.6 | -43.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 84 | A | 40.7 | Very low | 41.2 | Very low | 86 Ų | 86 | 134 Ų | 134 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -58.6 | 171.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 85 | P | 45.8 | Very low | 41.8 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | -142.5 | 163 | 70.2 | 30.8 | -9.1 | 0 | 0 | 0 | 116.7 | |||||
| 86 | Q | 44.1 | Very low | 42.2 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -68.4 | 164.3 | 170.2 | -66 | -158.6 | -27.5 | 0 | 0 | 113.1 | ||||
| 87 | P | 47.9 | Very low | 42.8 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | -147.6 | 148.1 | 99.9 | 34 | -15.5 | 0 | 0 | 0 | 117.5 | |||||
| 88 | K | 34.6 | Very low | 42.9 | Very low | 196 Ų | 196 | 142.4 Ų | 142.4 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | trans | 47.2 | 112.9 | 137.3 | -62.1 | -176.7 | 178 | 179.5 | 0 | 121.5 | ||||
| 89 | G | 35.8 | Very low | 43 | Very low | 75 Ų | 75 | 134.9 Ų | 134.9 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | 83.9 | 112.7 | 111.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 90 | S | 35.1 | Very low | 43.5 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | 177.5 | 111.5 | 142.6 | 31.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 91 | Q | 41 | Very low | 43.8 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | 65.9 | 123.8 | 102.4 | -71.9 | -172.2 | 12.7 | 0 | 0 | 116.5 | |||||
| 92 | A | 37.8 | Very low | 44.5 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | 73.5 | 127.5 | 144 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 93 | G | 35.3 | Very low | 45 | Very low | 69 Ų | 69 | 137.7 Ų | 137.7 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 158.7 | 68.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V95 | G93-V95 PolarHBondContact O-N 2.95Š| ||
| 94 | N | 45.9 | Very low | 46.2 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -60.4 | 116.1 | 154.1 | 177.1 | -23.6 | 0 | 0 | 0 | 107.2 | D96 | N94-D96 PolarHBondContact OD1-N 3.38Å; N94-D96 PolarHBondContact OD1-OD2 3.45Å | ||
| 95 | V | 47 | Very low | 47 | Very low | 106 Ų | 106 | 142 Ų | 142 | 64% | 0.642 | 79% | 0.79 | S | S | * | * | trans | -132.9 | 84.9 | 158.3 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | G93 R97 | G93-V95 PolarHBondContact O-N 2.95Å; V95-R97 HydrophobicContact CG1-CB 4.36Å; V95-R97 HydrophobicContact CG1-CG 3.79Å; V95-R97 PolarHBondContact O-N 3.36Å | ||
| 96 | D | 49.9 | Very low | 47.2 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | -49.6 | 100.8 | 148.1 | -80.6 | -62.6 | 0 | 0 | 0 | 110.1 | N94 | N94-D96 PolarHBondContact OD1-N 3.38Å; N94-D96 PolarHBondContact OD1-OD2 3.45Å | ||
| 97 | R | 54.7 | Low | 47.6 | Very low | 222 Ų | 222 | 139.8 Ų | 139.8 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | -132.7 | 92.5 | 156 | -75.2 | -171.5 | -175.8 | 165.6 | 3 | 110.6 | V95 G99 | V95-R97 HydrophobicContact CG1-CB 4.36Å; V95-R97 HydrophobicContact CG1-CG 3.79Å; V95-R97 PolarHBondContact O-N 3.36Å; R97-G99 PolarHBondContact O-N 3.45Å | ||
| 98 | R | 52.2 | Low | 47.9 | Very low | 259 Ų | 259 | 141.1 Ų | 141.1 | 98% | 0.977 | 77% | 0.771 | S | S | * | * | trans | -25.8 | 105.6 | 147.7 | -85.4 | 174.8 | 165.1 | -156 | -1.9 | 111.3 | ||||
| 99 | G | 42.8 | Very low | 48.8 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | -137.2 | 61.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | R97 G101 | R97-G99 PolarHBondContact O-N 3.45Å; G99-G101 PolarHBondContact O-N 2.97Å | ||
| 100 | K | 52.2 | Low | 49.9 | Very low | 198 Ų | 198 | 135.9 Ų | 135.9 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | trans | -70.4 | 69 | 170 | -166.8 | 160.9 | -179.1 | 172.9 | 0 | 107.8 | K102 | K100-K102 VanDerWaalsContact C-N 3.29Å; K100-K102 PolarHBondContact O-N 3.49Å | ||
| 101 | G | 48.4 | Very low | 51.8 | Low | 66 Ų | 66 | 138.4 Ų | 138.4 | 68% | 0.68 | 74% | 0.739 | S | S | * | * | trans | -60 | 101.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | G99 S103 | G99-G101 PolarHBondContact O-N 2.97Å; G101-S103 PolarHBondContact O-N 3.32Å | ||
| 102 | K | 57.3 | Low | 54.1 | Low | 185 Ų | 185 | 133.5 Ų | 133.5 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | -55.3 | 94.9 | 162.5 | -78.1 | 173.6 | 174.1 | 175.4 | 0 | 105.4 | K100 R104 | K100-K102 VanDerWaalsContact C-N 3.29Å; K100-K102 PolarHBondContact O-N 3.49Å; K102-R104 PolarHBondContact O-N 3.17Å | ||
| 103 | S | 59.7 | Low | 56.9 | Low | 112 Ų | 112 | 129.7 Ų | 129.7 | 78% | 0.783 | 69% | 0.685 | S | S | * | * | trans | -58.2 | 94.7 | 154.5 | 48.6 | 0 | 0 | 0 | 0 | 104.1 | G101 P105 | G101-S103 PolarHBondContact O-N 3.32Å; S103-P105 WeakPolarHBondContact O-CD 3.32Å; S103-P105 VanDerWaalsContact O-N 3.07Å | ||
| 104 | R | 61.1 | Low | 59.8 | Low | 206 Ų | 206 | 130 Ų | 130 | 78% | 0.777 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 120.8 | 164.4 | -75 | 175.9 | 91.6 | 174 | 9.2 | 103.3 | K102 | K102-R104 PolarHBondContact O-N 3.17Š|
| 105 | P | 57.5 | Low | 62.2 | Low | 108 Ų | 108 | 126 Ų | 126 | 70% | 0.701 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 137.1 | 171.3 | 22.2 | -31.2 | 0 | 0 | 0 | 106.4 | S103 K107 | S103-P105 WeakPolarHBondContact O-CD 3.32Å; S103-P105 VanDerWaalsContact O-N 3.07Å; P105-K107 PolarHBondContact O-N 3.25Å; P105-K107 VanDerWaalsContact O-N 3.07Å |
| 106 | P | 51.3 | Low | 64.6 | Low | 94 Ų | 94 | 124.3 Ų | 124.3 | 61% | 0.61 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 127.9 | 172.9 | 22.4 | -31.3 | 0 | 0 | 0 | 106.2 | Q108 | P106-Q108 HydrophobicContact CB-CG 4.45Å; P106-Q108 HydrophobicContact CG-CG 4.41Å; P106-Q108 PolarHBondContact O-N 3.07Å |
| 107 | K | 51.4 | Low | 66.9 | Low | 165 Ų | 165 | 124.6 Ų | 124.6 | 72% | 0.717 | 63% | 0.625 | S | S | * | * | trans | -63.6 | 75.3 | 169.6 | -89.2 | 178.5 | 168.2 | -176.5 | 0 | 107 | P105 S109 | P105-K107 PolarHBondContact O-N 3.25Å; P105-K107 VanDerWaalsContact O-N 3.07Å; K107-S109 VanDerWaalsContact C-N 3.27Å | ||
| 108 | Q | 54.1 | Low | 68.9 | Low | 144 Ų | 144 | 119.4 Ų | 119.4 | 67% | 0.673 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -76.2 | -21.8 | -175.5 | -114.4 | 169.3 | -50.9 | 0 | 0 | 110.8 | P106 S110 | P106-Q108 HydrophobicContact CB-CG 4.45Å; P106-Q108 HydrophobicContact CG-CG 4.41Å; P106-Q108 PolarHBondContact O-N 3.07Å; Q108-S110 VanDerWaalsContact C-N 3.27Å; Q108-S110 PolarHBondContact O-N 3.34Å |
| 109 | S | 53.9 | Low | 71.1 | Confident | 99 Ų | 99 | 114 Ų | 114 | 69% | 0.692 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -73.5 | -10.7 | 180 | 59.8 | 0 | 0 | 0 | 0 | 114.9 | K107 | K107-S109 VanDerWaalsContact C-N 3.27Š|
| 110 | S | 58.4 | Low | 73.6 | Confident | 61 Ų | 61 | 112.9 Ų | 112.9 | 43% | 0.427 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -93 | 3 | -177.1 | 88.1 | 0 | 0 | 0 | 0 | 114.1 | Q108 R114 | Q108-S110 VanDerWaalsContact C-N 3.27Å; Q108-S110 PolarHBondContact O-N 3.34Å; S110-R114 PolarHBondContact O-NH1 3.17Å; S110-R114 PolarHBondContact O-NH2 2.98Å |
| 111 | R | 75.5 | Confident | 75.8 | Confident | 166 Ų | 166 | 107.2 Ų | 107.2 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -101.4 | -16.6 | -176.1 | -70 | -172.1 | 172.6 | -172.1 | -2.2 | 114.5 | S143 | R111-S143 WeakPolarHBondContact O-CA 3.31Å; R111-S143 WeakPolarHBondContact O-CB 3.33Å; R111-S143 PolarHBondContact O-N 3.39Å; R111-S143 PolarHBondContact O-OG 2.84Å |
| 112 | D | 90.6 | Very high | 78.1 | Confident | 88 Ų | 88 | 104.1 Ų | 104.1 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | B | Isolated β-bridge | trans | -81 | 151.9 | -176.8 | -56.1 | -35.7 | 0 | 0 | 0 | 111.4 | R114 | D112-R114 PolarHBondContact O-N 2.65Å; D112-R114 PolarHBondContact O-NH1 3.2Å; D112-R114 VanDerWaalsContact O-NH1 3.1Å |
| 113 | C | 95.8 | Very high | 80 | Confident | 30 Ų | 30 | 99.7 Ų | 99.7 | 20% | 0.203 | 49% | 0.492 | C | S | . | . | trans | -60.7 | 120.8 | 178.1 | -179.6 | 0 | 0 | 0 | 0 | 111 | V141 S143 C178 | C113-V141 WeakPolarHBondContact CA-O 3.45Å; C113-S143 PolarHBondContact N-O 2.97Å; C113-C178 WeakPolarHBondContact CA-SG 3.4Å; C113-C178 HydrophobicContact CB-CB 3.78Å; C113-C178 WeakPolarHBondContact CB-SG 3.43Å; C113-C178 VanDerWaalsContact SG-CA 3.53Å; C113-C178 WeakPolarHBondContact SG-CB 3.03Å; C113-C178 CovalentContact SG-SG 2.04Å; C113-C178 PolarHBondContact SG-SG 2.9Å | ||
| 114 | R | 95.6 | Very high | 81.7 | Confident | 75 Ų | 75 | 99.3 Ų | 99.3 | 28% | 0.283 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 166.8 | -176.4 | 67.4 | -177.2 | -178.3 | -79.6 | -3.6 | 112.2 | S110 D112 E116 V141 C206 | S110-R114 PolarHBondContact O-NH1 3.17Å; S110-R114 PolarHBondContact O-NH2 2.98Å; D112-R114 PolarHBondContact O-N 2.65Å; D112-R114 PolarHBondContact O-NH1 3.2Å; D112-R114 VanDerWaalsContact O-NH1 3.1Å; R114-E116 IonicContact CZ-OE1 2.95Å; R114-E116 IonicContact NE-OE1 2.8Å; R114-E116 PolarHBondContact NE-OE1 2.7Å; R114-E116 IonicContact NH2-OE1 2.71Å; R114-E116 PolarHBondContact NH2-OE1 2.95Å; R114-V141 HydrophobicContact CG-CG2 4.41Å; R114-V141 PolarHBondContact N-O 2.72Å; R114-V141 PolarHBondContact O-N 3.49Å; R114-V141 VanDerWaalsContact O-O 3.1Å; R114-C206 VanDerWaalsContact C-SG 3.58Å; R114-C206 PolarHBondContact O-SG 3.13Å |
| 115 | V | 97.6 | Very high | 83.3 | Confident | 51 Ų | 51 | 91.3 Ų | 91.3 | 31% | 0.309 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 132.3 | 171.4 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | K138 C206 | V115-K138 HydrophobicContact CG1-CB 3.78Å; V115-K138 HydrophobicContact CG1-CD 4.21Å; V115-K138 HydrophobicContact CG1-CG 4.34Å; V115-C206 HydrophobicContact CG2-CB 4.26Å; V115-C206 WeakPolarHBondContact CG2-SG 3.37Å |
| 116 | E | 97.4 | Very high | 85.1 | Confident | 71 Ų | 71 | 89.3 Ų | 89.3 | 33% | 0.332 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 163.8 | 165.4 | -72 | -70.5 | 176.7 | 0 | 0 | 109.7 | R114 K138 F139 V141 | R114-E116 IonicContact CZ-OE1 2.95Å; R114-E116 IonicContact NE-OE1 2.8Å; R114-E116 PolarHBondContact NE-OE1 2.7Å; R114-E116 IonicContact NH2-OE1 2.71Å; R114-E116 PolarHBondContact NH2-OE1 2.95Å; E116-K138 CarbonylContact O-C 3.46Å; E116-K138 WeakPolarHBondContact O-CA 3.44Å; E116-F139 HydrophobicContact CB-CE1 4.24Å; E116-F139 HydrophobicContact CB-CE2 4.3Å; E116-F139 HydrophobicContact CB-CZ 4Å; E116-F139 PolarHBondContact N-O 3.05Å; E116-F139 PolarHBondContact O-N 2.82Å; E116-V141 HydrophobicContact CB-CG2 4.14Å; E116-V141 HydrophobicContact CG-CG2 3.29Å |
| 117 | K | 97.1 | Very high | 87.2 | Confident | 146 Ų | 146 | 89 Ų | 89 | 64% | 0.635 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 143.9 | -176.5 | 64.5 | -176.7 | -177.4 | 171.9 | 0 | 111.5 | L136 F137 K138 | K117-L136 HydrophobicContact CB-CD1 3.91Å; K117-L136 HydrophobicContact CB-CG 4.18Å; K117-L136 HydrophobicContact CD-CD1 4.11Å; K117-L136 HydrophobicContact CD-CD2 4.08Å; K117-L136 HydrophobicContact CD-CG 4.5Å; K117-L136 HydrophobicContact CG-CD1 4.17Å; K117-F137 CarbonylContact C-O 3.58Å; K117-F137 WeakPolarHBondContact CA-O 3.49Å; K117-K138 HydrophobicContact CB-CG 4.23Å |
| 118 | K | 97.4 | Very high | 89.3 | Confident | 112 Ų | 112 | 85.1 Ų | 85.1 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 133.3 | 176.5 | -176.2 | 175.6 | 178.1 | -175.9 | 0 | 110.5 | M120 F137 F139 | K118-M120 HydrophobicContact CB-CG 4.35Å; K118-M120 HydrophobicContact CD-CE 4.37Å; K118-M120 HydrophobicContact CD-CG 4.1Å; K118-M120 HydrophobicContact CD-SD 3.97Å; K118-M120 HydrophobicContact CG-CG 3.85Å; K118-M120 HydrophobicContact CG-SD 4.26Å; K118-F137 PolarHBondContact N-O 2.98Å; K118-F137 PolarHBondContact O-N 3.36Å; K118-F139 HydrophobicContact CB-CE1 3.85Å |
| 119 | E | 97.9 | Very high | 91.2 | Very high | 146 Ų | 146 | 81.8 Ų | 81.8 | 68% | 0.682 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 127.1 | 170.1 | -69.6 | 174.1 | -174.4 | 0 | 0 | 109.4 | I134 V135 L136 | E119-I134 HydrophobicContact CB-CG2 3.87Å; E119-I134 HydrophobicContact CG-CG2 4.39Å; E119-V135 WeakPolarHBondContact CA-O 3.22Å; E119-L136 HydrophobicContact CG-CD1 4.03Å |
| 120 | M | 96.4 | Very high | 93.1 | Very high | 48 Ų | 48 | 81.2 Ų | 81.2 | 24% | 0.236 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 147.6 | -178.2 | -55.4 | -167.2 | 78.9 | 0 | 0 | 109.7 | K118 I134 V135 F137 | K118-M120 HydrophobicContact CB-CG 4.35Å; K118-M120 HydrophobicContact CD-CE 4.37Å; K118-M120 HydrophobicContact CD-CG 4.1Å; K118-M120 HydrophobicContact CD-SD 3.97Å; K118-M120 HydrophobicContact CG-CG 3.85Å; K118-M120 HydrophobicContact CG-SD 4.26Å; M120-I134 WeakPolarHBondContact O-CA 3.36Å; M120-V135 PolarHBondContact N-O 2.85Å; M120-V135 PolarHBondContact O-N 2.81Å; M120-F137 HydrophobicContact SD-CB 4.46Å; M120-F137 HydrophobicContact SD-CD1 4.35Å |
| 121 | K | 97.2 | Very high | 94.9 | Very high | 79 Ų | 79 | 78.6 Ų | 78.6 | 34% | 0.343 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 147 | 168.7 | -66.3 | -176.1 | 169.5 | -162.5 | 0 | 109.8 | R123 D124 D132 E133 I134 | K121-R123 VanDerWaalsContact C-N 3.3Å; K121-R123 HydrophobicContact CB-CG 4.2Å; K121-R123 PolarHBondContact O-N 2.88Å; K121-D124 HydrophobicContact CB-CB 4.44Å; K121-D124 WeakPolarHBondContact O-CB 3.49Å; K121-D124 PolarHBondContact O-N 2.86Å; K121-D132 IonicContact NZ-OD1 2.77Å; K121-D132 PolarHBondContact NZ-OD1 3.01Å; K121-E133 WeakPolarHBondContact CA-O 3.44Å; K121-I134 HydrophobicContact CG-CG1 4.35Å |
| 122 | V | 97 | Very high | 95.8 | Very high | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.006 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -58.3 | -42.2 | 178.5 | 173 | 0 | 0 | 0 | 0 | 111.9 | D124 L125 F129 E133 V135 F188 | V122-D124 PolarHBondContact O-N 2.97Å; V122-L125 WeakPolarHBondContact O-CB 3.48Å; V122-L125 PolarHBondContact O-N 2.92Å; V122-L125 VanDerWaalsContact O-N 3.17Å; V122-F129 HydrophobicContact CG1-CB 3.77Å; V122-E133 HydrophobicContact CG2-CB 4.33Å; V122-E133 WeakPolarHBondContact CG2-O 3.42Å; V122-E133 PolarHBondContact N-O 3.36Å; V122-V135 HydrophobicContact CG2-CG1 3.71Å; V122-V135 HydrophobicContact CG2-CG2 4.17Å; V122-F188 HydrophobicContact CB-CD2 4.37Å; V122-F188 HydrophobicContact CB-CG 4.44Å; V122-F188 HydrophobicContact CG1-CD1 4.07Å; V122-F188 HydrophobicContact CG1-CD2 3.86Å; V122-F188 HydrophobicContact CG1-CE1 3.8Å; V122-F188 HydrophobicContact CG1-CE2 3.6Å; V122-F188 HydrophobicContact CG1-CG 4.11Å; V122-F188 HydrophobicContact CG1-CZ 3.56Å; V122-F188 HydrophobicContact CG2-CB 3.87Å; V122-F188 HydrophobicContact CG2-CD1 3.84Å; V122-F188 HydrophobicContact CG2-CD2 3.98Å; V122-F188 HydrophobicContact CG2-CE1 4.4Å; V122-F188 HydrophobicContact CG2-CG 3.61Å |
| 123 | R | 96.4 | Very high | 96.1 | Very high | 91 Ų | 91 | 73.5 Ų | 73.5 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -61.6 | -28.2 | 177.1 | 62.9 | 169.2 | 55.1 | 131.8 | 7 | 114.5 | K121 L125 G126 F129 D130 S131 D132 | K121-R123 VanDerWaalsContact C-N 3.3Å; K121-R123 HydrophobicContact CB-CG 4.2Å; K121-R123 PolarHBondContact O-N 2.88Å; R123-L125 PolarHBondContact O-N 3.46Å; R123-G126 PolarHBondContact O-N 3.11Å; R123-F129 WeakPolarHBondContact CA-O 3.33Å; R123-D130 IonicContact CZ-OD1 3.27Å; R123-D130 VanDerWaalsContact CZ-OD1 3.27Å; R123-D130 IonicContact NE-OD1 3.16Å; R123-D130 PolarHBondContact NE-OD1 3.03Å; R123-D130 VanDerWaalsContact NE-OD1 3.16Å; R123-D130 IonicContact NH2-OD1 3.39Å; R123-D130 PolarHBondContact NH2-OD1 3.47Å; R123-S131 PolarHBondContact N-O 3.27Å; R123-S131 VanDerWaalsContact N-O 3.17Å; R123-D132 VanDerWaalsContact CZ-CG 3.47Å; R123-D132 IonicContact CZ-OD1 3.41Å; R123-D132 IonicContact CZ-OD2 3.22Å; R123-D132 IonicContact NH1-OD1 2.81Å; R123-D132 PolarHBondContact NH1-OD1 2.88Å; R123-D132 IonicContact NH1-OD2 3.93Å; R123-D132 PolarHBondContact NH1-OD2 2.8Å; R123-D132 IonicContact NH2-OD1 3Å; R123-D132 IonicContact NH2-OD2 2.69Å; R123-D132 PolarHBondContact NH2-OD2 2.84Å |
| 124 | D | 96.8 | Very high | 96.2 | Very high | 104 Ų | 104 | 77.2 Ų | 77.2 | 56% | 0.556 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -76.8 | -9.6 | -178.5 | -62.2 | -18.6 | 0 | 0 | 0 | 112.4 | K121 V122 G126 | K121-D124 HydrophobicContact CB-CB 4.44Å; K121-D124 WeakPolarHBondContact O-CB 3.49Å; K121-D124 PolarHBondContact O-N 2.86Å; V122-D124 PolarHBondContact O-N 2.97Å; D124-G126 PolarHBondContact O-N 3.22Å |
| 125 | L | 94.9 | Very high | 96.2 | Very high | 38 Ų | 38 | 74.1 Ų | 74.1 | 20% | 0.199 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -74.3 | -13.8 | 174.2 | -62.2 | 169.9 | 0 | 0 | 0 | 112.8 | V122 R123 L127 V135 F137 L201 | V122-L125 WeakPolarHBondContact O-CB 3.48Å; V122-L125 PolarHBondContact O-N 2.92Å; V122-L125 VanDerWaalsContact O-N 3.17Å; R123-L125 PolarHBondContact O-N 3.46Å; L125-L127 VanDerWaalsContact C-N 3.3Å; L125-L127 HydrophobicContact CB-CD1 4.29Å; L125-L127 HydrophobicContact CB-CG 4.26Å; L125-L127 PolarHBondContact O-N 2.79Å; L125-V135 HydrophobicContact CD1-CG2 4.26Å; L125-F137 HydrophobicContact CD2-CD2 4.12Å; L125-F137 HydrophobicContact CD2-CG 4.25Å; L125-L201 HydrophobicContact CD1-CD2 3.82Å |
| 126 | G | 95.2 | Very high | 96.2 | Very high | 67 Ų | 67 | 75.3 Ų | 75.3 | 69% | 0.691 | 40% | 0.4 | S | S | * | . | trans | 71 | 21.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R123 D124 | R123-G126 PolarHBondContact O-N 3.11Å; D124-G126 PolarHBondContact O-N 3.22Å | ||
| 127 | L | 95.1 | Very high | 96.2 | Very high | 88 Ų | 88 | 74.1 Ų | 74.1 | 46% | 0.461 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -94.5 | 8.8 | -178.2 | -62 | 176 | 0 | 0 | 0 | 113.8 | L125 F129 I198 L201 | L125-L127 VanDerWaalsContact C-N 3.3Å; L125-L127 HydrophobicContact CB-CD1 4.29Å; L125-L127 HydrophobicContact CB-CG 4.26Å; L125-L127 PolarHBondContact O-N 2.79Å; L127-F129 VanDerWaalsContact C-N 3.33Å; L127-F129 HydrophobicContact CB-CD2 3.87Å; L127-F129 HydrophobicContact CB-CE2 4.17Å; L127-F129 PolarHBondContact O-N 2.92Å; L127-I198 HydrophobicContact CD1-CD1 3.9Å; L127-I198 HydrophobicContact CD1-CG2 4.45Å; L127-L201 HydrophobicContact CD1-CD1 3.56Å; L127-L201 HydrophobicContact CD1-CD2 4.39Å |
| 128 | G | 94.4 | Very high | 96.3 | Very high | 82 Ų | 82 | 69.8 Ų | 69.8 | 85% | 0.845 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 81.4 | 5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 129 | F | 94.2 | Very high | 96.3 | Very high | 74 Ų | 74 | 67.9 Ų | 67.9 | 33% | 0.325 | 37% | 0.367 | S | S | . | . | trans | -84.9 | 125.4 | 172.3 | -65.2 | -81.3 | 0 | 0 | 0 | 110.7 | V122 R123 L127 S131 F188 I198 | V122-F129 HydrophobicContact CG1-CB 3.77Å; R123-F129 WeakPolarHBondContact CA-O 3.33Å; L127-F129 VanDerWaalsContact C-N 3.33Å; L127-F129 HydrophobicContact CB-CD2 3.87Å; L127-F129 HydrophobicContact CB-CE2 4.17Å; L127-F129 PolarHBondContact O-N 2.92Å; F129-S131 PolarHBondContact O-N 2.97Å; F129-F188 HydrophobicContact CB-CE2 4.07Å; F129-F188 HydrophobicContact CB-CZ 3.9Å; F129-F188 HydrophobicContact CD1-CE2 4.01Å; F129-F188 AromaticContact CD1-CZ 3.6Å; F129-F188 HydrophobicContact CD1-CZ 3.6Å; F129-F188 HydrophobicContact CD2-CZ 4.08Å; F129-F188 HydrophobicContact CE1-CZ 4.1Å; F129-F188 HydrophobicContact CG-CE2 4.13Å; F129-F188 AromaticContact CG-CZ 3.58Å; F129-F188 HydrophobicContact CG-CZ 3.58Å; F129-I198 HydrophobicContact CD2-CD1 3.51Å; F129-I198 HydrophobicContact CD2-CG1 4.24Å; F129-I198 HydrophobicContact CE2-CD1 3.28Å; F129-I198 HydrophobicContact CE2-CG1 3.56Å; F129-I198 HydrophobicContact CG-CD1 4.41Å; F129-I198 HydrophobicContact CZ-CD1 4.04Å; F129-I198 HydrophobicContact CZ-CG1 3.83Å | ||
| 130 | D | 93.8 | Very high | 96.3 | Very high | 88 Ų | 88 | 62.1 Ų | 62.1 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | trans | -93.6 | 91.9 | 172.2 | -170.1 | 20.4 | 0 | 0 | 0 | 109.7 | R123 T191 | R123-D130 IonicContact CZ-OD1 3.27Å; R123-D130 VanDerWaalsContact CZ-OD1 3.27Å; R123-D130 IonicContact NE-OD1 3.16Å; R123-D130 PolarHBondContact NE-OD1 3.03Å; R123-D130 VanDerWaalsContact NE-OD1 3.16Å; R123-D130 IonicContact NH2-OD1 3.39Å; R123-D130 PolarHBondContact NH2-OD1 3.47Å; D130-T191 VanDerWaalsContact O-CG2 3.25Å; D130-T191 WeakPolarHBondContact O-CG2 3.34Å; D130-T191 PolarHBondContact O-N 2.77Å | ||
| 131 | S | 96.2 | Very high | 96.3 | Very high | 5 Ų | 5 | 61.9 Ų | 61.9 | 4% | 0.035 | 34% | 0.344 | C | S | . | . | trans | -145.3 | 141.1 | 173.8 | 176.3 | 0 | 0 | 0 | 0 | 111 | R123 F129 E133 M189 | R123-S131 PolarHBondContact N-O 3.27Å; R123-S131 VanDerWaalsContact N-O 3.17Å; F129-S131 PolarHBondContact O-N 2.97Å; S131-E133 PolarHBondContact OG-N 2.71Å; S131-M189 WeakPolarHBondContact CB-O 3.29Å; S131-M189 PolarHBondContact OG-O 2.8Å | ||
| 132 | D | 95.2 | Very high | 96.2 | Very high | 79 Ų | 79 | 60 Ų | 60 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | trans | -91.1 | 1.3 | 175.9 | -88.6 | -58.2 | 0 | 0 | 0 | 113.3 | K121 R123 | K121-D132 IonicContact NZ-OD1 2.77Å; K121-D132 PolarHBondContact NZ-OD1 3.01Å; R123-D132 VanDerWaalsContact CZ-CG 3.47Å; R123-D132 IonicContact CZ-OD1 3.41Å; R123-D132 IonicContact CZ-OD2 3.22Å; R123-D132 IonicContact NH1-OD1 2.81Å; R123-D132 PolarHBondContact NH1-OD1 2.88Å; R123-D132 IonicContact NH1-OD2 3.93Å; R123-D132 PolarHBondContact NH1-OD2 2.8Å; R123-D132 IonicContact NH2-OD1 3Å; R123-D132 IonicContact NH2-OD2 2.69Å; R123-D132 PolarHBondContact NH2-OD2 2.84Å | ||
| 133 | E | 96.6 | Very high | 96 | Very high | 69 Ų | 69 | 61.6 Ų | 61.6 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | trans | -62.6 | 140.3 | 177.3 | -170.2 | 165.9 | 169.4 | 0 | 0 | 111.3 | K121 V122 S131 F188 M189 | K121-E133 WeakPolarHBondContact CA-O 3.44Å; V122-E133 HydrophobicContact CG2-CB 4.33Å; V122-E133 WeakPolarHBondContact CG2-O 3.42Å; V122-E133 PolarHBondContact N-O 3.36Å; S131-E133 PolarHBondContact OG-N 2.71Å; E133-F188 HydrophobicContact CB-CB 4.23Å; E133-F188 HydrophobicContact CG-CB 4.24Å; E133-F188 VanDerWaalsContact OE2-CA 3.24Å; E133-F188 WeakPolarHBondContact OE2-CA 3.24Å; E133-F188 VanDerWaalsContact OE2-CB 3.29Å; E133-F188 WeakPolarHBondContact OE2-CB 3.33Å; E133-M189 PolarHBondContact OE2-N 3.34Å | ||
| 134 | I | 97.1 | Very high | 96 | Very high | 107 Ų | 107 | 57.3 Ų | 57.3 | 55% | 0.549 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.3 | 179.6 | -59.9 | 174 | 0 | 0 | 0 | 108.3 | E119 M120 K121 | E119-I134 HydrophobicContact CB-CG2 3.87Å; E119-I134 HydrophobicContact CG-CG2 4.39Å; M120-I134 WeakPolarHBondContact O-CA 3.36Å; K121-I134 HydrophobicContact CG-CG1 4.35Å |
| 135 | V | 96.9 | Very high | 95.7 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 7% | 0.067 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 151.1 | 177.8 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | E119 M120 V122 L125 F137 V186 F188 | E119-V135 WeakPolarHBondContact CA-O 3.22Å; M120-V135 PolarHBondContact N-O 2.85Å; M120-V135 PolarHBondContact O-N 2.81Å; V122-V135 HydrophobicContact CG2-CG1 3.71Å; V122-V135 HydrophobicContact CG2-CG2 4.17Å; L125-V135 HydrophobicContact CD1-CG2 4.26Å; V135-F137 PolarHBondContact O-N 2.89Å; V135-V186 HydrophobicContact CB-CG1 3.75Å; V135-V186 HydrophobicContact CG1-CG1 3.58Å; V135-V186 HydrophobicContact CG2-CG1 4.14Å; V135-F188 HydrophobicContact CG1-CB 4.36Å |
| 136 | L | 97.5 | Very high | 95.5 | Very high | 75 Ų | 75 | 60.7 Ų | 60.7 | 39% | 0.393 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 95.8 | 174.7 | -173.3 | 69.8 | 0 | 0 | 0 | 109.7 | K117 E119 | K117-L136 HydrophobicContact CB-CD1 3.91Å; K117-L136 HydrophobicContact CB-CG 4.18Å; K117-L136 HydrophobicContact CD-CD1 4.11Å; K117-L136 HydrophobicContact CD-CD2 4.08Å; K117-L136 HydrophobicContact CD-CG 4.5Å; K117-L136 HydrophobicContact CG-CD1 4.17Å; E119-L136 HydrophobicContact CG-CD1 4.03Å |
| 137 | F | 98 | Very high | 95.3 | Very high | 46 Ų | 46 | 59.7 Ų | 59.7 | 20% | 0.202 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 123.3 | 178.8 | -176.7 | -107.6 | 0 | 0 | 0 | 111 | K117 K118 M120 L125 V135 F139 L201 | K117-F137 CarbonylContact C-O 3.58Å; K117-F137 WeakPolarHBondContact CA-O 3.49Å; K118-F137 PolarHBondContact N-O 2.98Å; K118-F137 PolarHBondContact O-N 3.36Å; M120-F137 HydrophobicContact SD-CB 4.46Å; M120-F137 HydrophobicContact SD-CD1 4.35Å; L125-F137 HydrophobicContact CD2-CD2 4.12Å; L125-F137 HydrophobicContact CD2-CG 4.25Å; V135-F137 PolarHBondContact O-N 2.89Å; F137-F139 HydrophobicContact CD1-CB 4.4Å; F137-F139 HydrophobicContact CD1-CD1 4.11Å; F137-F139 HydrophobicContact CE1-CB 3.88Å; F137-F139 HydrophobicContact CE1-CD1 4.36Å; F137-F139 HydrophobicContact CE1-CG 4.46Å; F137-L201 HydrophobicContact CD2-CG 4.29Å; F137-L201 HydrophobicContact CE2-CD1 4.08Å; F137-L201 HydrophobicContact CE2-CG 4.05Å; F137-L201 VanDerWaalsContact CE2-O 3.31Å; F137-L201 WeakPolarHBondContact CE2-O 3.33Å |
| 138 | K | 98.3 | Very high | 95.2 | Very high | 56 Ų | 56 | 59.1 Ų | 59.1 | 24% | 0.243 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 141.2 | 175.5 | -54.9 | 177.5 | -166.4 | 150.7 | 0 | 111.1 | V115 E116 K117 E184 S202 A203 | V115-K138 HydrophobicContact CG1-CB 3.78Å; V115-K138 HydrophobicContact CG1-CD 4.21Å; V115-K138 HydrophobicContact CG1-CG 4.34Å; E116-K138 CarbonylContact O-C 3.46Å; E116-K138 WeakPolarHBondContact O-CA 3.44Å; K117-K138 HydrophobicContact CB-CG 4.23Å; K138-E184 WeakPolarHBondContact CD-OE1 3.19Å; K138-E184 WeakPolarHBondContact CE-OE1 3.47Å; K138-E184 IonicContact NZ-OE1 2.85Å; K138-E184 PolarHBondContact NZ-OE1 2.86Å; K138-E184 IonicContact NZ-OE2 3.06Å; K138-E184 PolarHBondContact NZ-OE2 3.38Å; K138-S202 WeakPolarHBondContact CB-OG 3.26Å; K138-S202 WeakPolarHBondContact CG-OG 3.39Å; K138-S202 PolarHBondContact N-OG 3.48Å; K138-A203 WeakPolarHBondContact CB-O 3.21Å; K138-A203 WeakPolarHBondContact CD-O 3.2Å; K138-A203 WeakPolarHBondContact O-CB 3.48Å; K138-A203 PolarHBondContact O-N 3.07Å |
| 139 | F | 98.1 | Very high | 95.2 | Very high | 72 Ų | 72 | 60.3 Ų | 60.3 | 32% | 0.316 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 159.3 | -177.3 | 61.1 | -78.5 | 0 | 0 | 0 | 111.9 | E116 K118 F137 V141 | E116-F139 HydrophobicContact CB-CE1 4.24Å; E116-F139 HydrophobicContact CB-CE2 4.3Å; E116-F139 HydrophobicContact CB-CZ 4Å; E116-F139 PolarHBondContact N-O 3.05Å; E116-F139 PolarHBondContact O-N 2.82Å; K118-F139 HydrophobicContact CB-CE1 3.85Å; F137-F139 HydrophobicContact CD1-CB 4.4Å; F137-F139 HydrophobicContact CD1-CD1 4.11Å; F137-F139 HydrophobicContact CE1-CB 3.88Å; F137-F139 HydrophobicContact CE1-CD1 4.36Å; F137-F139 HydrophobicContact CE1-CG 4.46Å; F139-V141 HydrophobicContact CD2-CG1 3.53Å; F139-V141 HydrophobicContact CE2-CG1 3.33Å; F139-V141 HydrophobicContact CZ-CG1 4.46Å |
| 140 | C | 97.8 | Very high | 95.2 | Very high | 24 Ų | 24 | 63.3 Ų | 63.3 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 132.8 | -177.7 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | R179 P180 C206 | C140-R179 VanDerWaalsContact SG-C 3.55Å; C140-P180 WeakPolarHBondContact SG-CA 3.41Å; C140-C206 WeakPolarHBondContact CA-SG 3.46Å; C140-C206 HydrophobicContact CB-CB 3.82Å; C140-C206 WeakPolarHBondContact CB-SG 3.48Å; C140-C206 VanDerWaalsContact SG-CA 3.59Å; C140-C206 WeakPolarHBondContact SG-CB 3.32Å; C140-C206 CovalentContact SG-SG 2.02Å; C140-C206 PolarHBondContact SG-SG 2.83Å |
| 141 | V | 96.5 | Very high | 95.2 | Very high | 44 Ų | 44 | 65.9 Ų | 65.9 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 158.8 | 173.6 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | C113 R114 E116 F139 C178 | C113-V141 WeakPolarHBondContact CA-O 3.45Å; R114-V141 HydrophobicContact CG-CG2 4.41Å; R114-V141 PolarHBondContact N-O 2.72Å; R114-V141 PolarHBondContact O-N 3.49Å; R114-V141 VanDerWaalsContact O-O 3.1Å; E116-V141 HydrophobicContact CB-CG2 4.14Å; E116-V141 HydrophobicContact CG-CG2 3.29Å; F139-V141 HydrophobicContact CD2-CG1 3.53Å; F139-V141 HydrophobicContact CE2-CG1 3.33Å; F139-V141 HydrophobicContact CZ-CG1 4.46Å; V141-C178 PolarHBondContact O-SG 3.34Å; V141-C178 VanDerWaalsContact O-SG 3.4Å |
| 142 | G | 94.8 | Very high | 95.1 | Very high | 40 Ų | 40 | 65.8 Ų | 65.8 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | trans | 122.9 | -175.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 143 | S | 93.3 | Very high | 95.1 | Very high | 33 Ų | 33 | 66.3 Ų | 66.3 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -116 | 151.5 | -178.9 | 73.1 | 0 | 0 | 0 | 0 | 110.4 | R111 C113 | R111-S143 WeakPolarHBondContact O-CA 3.31Å; R111-S143 WeakPolarHBondContact O-CB 3.33Å; R111-S143 PolarHBondContact O-N 3.39Å; R111-S143 PolarHBondContact O-OG 2.84Å; C113-S143 PolarHBondContact N-O 2.97Å |
| 144 | C | 94.9 | Very high | 95 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.007 | 36% | 0.356 | C | S | . | . | trans | -114.4 | 40.1 | -178.4 | -69.5 | 0 | 0 | 0 | 0 | 111.1 | S146 S147 P176 C208 | C144-S146 VanDerWaalsContact C-N 3.28Å; C144-S146 PolarHBondContact O-N 2.97Å; C144-S147 WeakPolarHBondContact CB-OG 3.44Å; C144-S147 PolarHBondContact O-N 3.4Å; C144-S147 PolarHBondContact O-OG 2.02Å; C144-P176 HydrophobicContact CB-CB 3.81Å; C144-P176 HydrophobicContact CB-CG 4.38Å; C144-P176 WeakPolarHBondContact CB-O 3.37Å; C144-C208 VanDerWaalsContact CA-SG 3.54Å; C144-C208 HydrophobicContact CB-CB 3.56Å; C144-C208 WeakPolarHBondContact CB-SG 3.47Å; C144-C208 WeakPolarHBondContact SG-CA 3.42Å; C144-C208 WeakPolarHBondContact SG-CB 3.48Å; C144-C208 CovalentContact SG-SG 2.02Å; C144-C208 PolarHBondContact SG-SG 2.04Å | ||
| 145 | Q | 91.4 | Very high | 94.8 | Very high | 108 Ų | 108 | 61.3 Ų | 61.3 | 51% | 0.505 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -66.1 | -33.9 | -178.6 | -65.8 | -177.6 | 12.5 | 0 | 0 | 112 | S147 R148 | Q145-S147 VanDerWaalsContact C-N 3.34Å; Q145-R148 WeakPolarHBondContact O-CG 3.42Å |
| 146 | S | 89.7 | Confident | 94.6 | Very high | 106 Ų | 106 | 61.7 Ų | 61.7 | 74% | 0.741 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -19.5 | -179.8 | 49.8 | 0 | 0 | 0 | 0 | 113.8 | C144 | C144-S146 VanDerWaalsContact C-N 3.28Å; C144-S146 PolarHBondContact O-N 2.97Å |
| 147 | S | 92.6 | Very high | 94.5 | Very high | 45 Ų | 45 | 60 Ų | 60 | 32% | 0.315 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 14.8 | -179.2 | 73.1 | 0 | 0 | 0 | 0 | 113.1 | C144 Q145 C208 | C144-S147 WeakPolarHBondContact CB-OG 3.44Å; C144-S147 PolarHBondContact O-N 3.4Å; C144-S147 PolarHBondContact O-OG 2.02Å; Q145-S147 VanDerWaalsContact C-N 3.34Å; S147-C208 WeakPolarHBondContact OG-CB 3.39Å |
| 148 | R | 92.9 | Very high | 94.2 | Very high | 76 Ų | 76 | 61.5 Ų | 61.5 | 29% | 0.287 | 34% | 0.343 | S | S | . | . | trans | -64.5 | 135.3 | 178.1 | -75.3 | 174.7 | 175.8 | -175 | -6 | 110.1 | Q145 D152 L153 N175 | Q145-R148 WeakPolarHBondContact O-CG 3.42Å; R148-D152 WeakPolarHBondContact CA-OD2 3.21Å; R148-D152 HydrophobicContact CB-CB 4.01Å; R148-D152 HydrophobicContact CG-CB 4.04Å; R148-L153 HydrophobicContact CB-CD2 4.31Å; R148-N175 PolarHBondContact NE-OD1 2.82Å; R148-N175 PolarHBondContact NH2-OD1 3.47Å | ||
| 149 | I | 93.4 | Very high | 94 | Very high | 107 Ų | 107 | 59.6 Ų | 59.6 | 55% | 0.549 | 34% | 0.335 | S | S | . | . | trans | -99.9 | 174 | 171.5 | 59.9 | 163.1 | 0 | 0 | 0 | 110.9 | Y151 D152 L153 | I149-Y151 PolarHBondContact O-N 2.91Å; I149-Y151 VanDerWaalsContact O-N 3.15Å; I149-D152 WeakPolarHBondContact CG1-OD2 3.47Å; I149-D152 PolarHBondContact N-OD2 3.28Å; I149-D152 WeakPolarHBondContact O-CB 3.47Å; I149-D152 PolarHBondContact O-N 2.99Å; I149-L153 PolarHBondContact O-N 2.8Å; I149-L153 VanDerWaalsContact O-N 3.12Å | ||
| 150 | N | 95.3 | Very high | 93.7 | Very high | 137 Ų | 137 | 62.2 Ų | 62.2 | 73% | 0.733 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -53.8 | -36.9 | -179.4 | -70.4 | -18.5 | 0 | 0 | 0 | 113.1 | L153 A154 | N150-L153 PolarHBondContact O-N 3.06Å; N150-A154 WeakPolarHBondContact O-CB 3.09Å; N150-A154 PolarHBondContact O-N 3.34Å |
| 151 | Y | 93.5 | Very high | 93.5 | Very high | 142 Ų | 142 | 67.1 Ų | 67.1 | 56% | 0.557 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -57.9 | -49.2 | 174.4 | 172.5 | -98.6 | 0 | 0 | 0 | 111.9 | I149 L153 A154 L155 | I149-Y151 PolarHBondContact O-N 2.91Å; I149-Y151 VanDerWaalsContact O-N 3.15Å; Y151-L153 VanDerWaalsContact C-N 3.29Å; Y151-L153 PolarHBondContact O-N 2.85Å; Y151-A154 PolarHBondContact O-N 2.86Å; Y151-L155 HydrophobicContact CE1-CD2 3.75Å; Y151-L155 WeakPolarHBondContact O-CB 3.21Å; Y151-L155 PolarHBondContact O-N 3.32Å |
| 152 | D | 93.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 179.7 | -56.6 | -48.1 | 0 | 0 | 0 | 111.9 | R148 I149 N156 | R148-D152 WeakPolarHBondContact CA-OD2 3.21Å; R148-D152 HydrophobicContact CB-CB 4.01Å; R148-D152 HydrophobicContact CG-CB 4.04Å; I149-D152 WeakPolarHBondContact CG1-OD2 3.47Å; I149-D152 PolarHBondContact N-OD2 3.28Å; I149-D152 WeakPolarHBondContact O-CB 3.47Å; I149-D152 PolarHBondContact O-N 2.99Å; D152-N156 WeakPolarHBondContact O-CB 3.47Å; D152-N156 PolarHBondContact O-N 3.24Å |
| 153 | L | 93.8 | Very high | 93.1 | Very high | 89 Ų | 89 | 69.5 Ų | 69.5 | 47% | 0.466 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.8 | -48.2 | 177.6 | -63.2 | 178.2 | 0 | 0 | 0 | 111.2 | R148 I149 N150 Y151 N156 A157 | R148-L153 HydrophobicContact CB-CD2 4.31Å; I149-L153 PolarHBondContact O-N 2.8Å; I149-L153 VanDerWaalsContact O-N 3.12Å; N150-L153 PolarHBondContact O-N 3.06Å; Y151-L153 VanDerWaalsContact C-N 3.29Å; Y151-L153 PolarHBondContact O-N 2.85Å; L153-N156 PolarHBondContact O-N 3.39Å; L153-A157 PolarHBondContact O-N 3.48Å |
| 154 | A | 94.5 | Very high | 93 | Very high | 56 Ų | 56 | 70.2 Ų | 70.2 | 46% | 0.463 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | N150 Y151 N156 A157 L158 | N150-A154 WeakPolarHBondContact O-CB 3.09Å; N150-A154 PolarHBondContact O-N 3.34Å; Y151-A154 PolarHBondContact O-N 2.86Å; A154-N156 PolarHBondContact O-N 3.36Å; A154-A157 WeakPolarHBondContact O-CB 3.17Å; A154-A157 PolarHBondContact O-N 3.05Å; A154-L158 WeakPolarHBondContact O-CG 3.45Å; A154-L158 PolarHBondContact O-N 2.9Å |
| 155 | L | 93.9 | Very high | 92.9 | Very high | 16 Ų | 16 | 74.2 Ų | 74.2 | 8% | 0.084 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 178.8 | -178.9 | 58.2 | 0 | 0 | 0 | 112.3 | Y151 A157 L158 L159 L164 V172 | Y151-L155 HydrophobicContact CE1-CD2 3.75Å; Y151-L155 WeakPolarHBondContact O-CB 3.21Å; Y151-L155 PolarHBondContact O-N 3.32Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 3.29Å; L155-L158 PolarHBondContact O-N 3.01Å; L155-L159 HydrophobicContact CD1-CD1 4.3Å; L155-L159 HydrophobicContact CD1-CG 4.46Å; L155-L159 HydrophobicContact CG-CD1 4.13Å; L155-L159 WeakPolarHBondContact O-CB 3.46Å; L155-L159 VanDerWaalsContact O-CG 3.27Å; L155-L159 WeakPolarHBondContact O-CG 3.44Å; L155-L159 PolarHBondContact O-N 2.67Å; L155-L164 HydrophobicContact CD1-CD1 3.96Å; L155-V172 HydrophobicContact CD1-CG1 3.92Å; L155-V172 HydrophobicContact CD2-CG1 3.51Å; L155-V172 HydrophobicContact CG-CG1 4.02Å |
| 156 | N | 93.2 | Very high | 92.9 | Very high | 18 Ų | 18 | 78.1 Ų | 78.1 | 10% | 0.096 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 174.4 | -172 | 66.9 | 0 | 0 | 0 | 111.3 | D152 L153 A154 L159 E160 R174 | D152-N156 WeakPolarHBondContact O-CB 3.47Å; D152-N156 PolarHBondContact O-N 3.24Å; L153-N156 PolarHBondContact O-N 3.39Å; A154-N156 PolarHBondContact O-N 3.36Å; N156-L159 PolarHBondContact O-N 2.73Å; N156-E160 VanDerWaalsContact ND2-CD 3.31Å; N156-E160 PolarHBondContact ND2-OE1 3.33Å; N156-E160 WeakPolarHBondContact O-CB 3.29Å; N156-E160 WeakPolarHBondContact O-CG 3.49Å; N156-E160 PolarHBondContact O-N 2.75Å; N156-R174 WeakPolarHBondContact OD1-CD 3.29Å |
| 157 | A | 94 | Very high | 93 | Very high | 40 Ų | 40 | 83.1 Ų | 83.1 | 33% | 0.331 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L153 A154 L155 L159 E160 N161 | L153-A157 PolarHBondContact O-N 3.48Å; A154-A157 WeakPolarHBondContact O-CB 3.17Å; A154-A157 PolarHBondContact O-N 3.05Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 3.29Å; A157-L159 VanDerWaalsContact C-N 3.29Å; A157-L159 PolarHBondContact O-N 2.02Å; A157-E160 PolarHBondContact O-N 2.83Å; A157-N161 VanDerWaalsContact O-CB 3.26Å; A157-N161 WeakPolarHBondContact O-CB 3.2Å; A157-N161 PolarHBondContact O-N 3.37Å; A157-N161 PolarHBondContact O-ND2 2.97Å |
| 158 | L | 93.5 | Very high | 93 | Very high | 78 Ų | 78 | 84.2 Ų | 84.2 | 41% | 0.408 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 175.7 | -69.3 | 172.7 | 0 | 0 | 0 | 112.6 | A154 L155 G162 S163 L164 | A154-L158 WeakPolarHBondContact O-CG 3.45Å; A154-L158 PolarHBondContact O-N 2.9Å; L155-L158 PolarHBondContact O-N 3.01Å; L158-G162 PolarHBondContact O-N 2.72Å; L158-S163 PolarHBondContact O-N 3.1Å; L158-L164 HydrophobicContact CB-CD1 4.09Å; L158-L164 HydrophobicContact CB-CG 4.14Å |
| 159 | L | 93.1 | Very high | 92.9 | Very high | 15 Ų | 15 | 82.1 Ų | 82.1 | 8% | 0.079 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -73.7 | -36.6 | 177.9 | -70.8 | 169 | 0 | 0 | 0 | 112.7 | L155 N156 A157 L164 A169 V172 R174 | L155-L159 HydrophobicContact CD1-CD1 4.3Å; L155-L159 HydrophobicContact CD1-CG 4.46Å; L155-L159 HydrophobicContact CG-CD1 4.13Å; L155-L159 WeakPolarHBondContact O-CB 3.46Å; L155-L159 VanDerWaalsContact O-CG 3.27Å; L155-L159 WeakPolarHBondContact O-CG 3.44Å; L155-L159 PolarHBondContact O-N 2.67Å; N156-L159 PolarHBondContact O-N 2.73Å; A157-L159 VanDerWaalsContact C-N 3.29Å; A157-L159 PolarHBondContact O-N 2.02Å; L159-L164 HydrophobicContact CD2-CB 4.47Å; L159-L164 HydrophobicContact CD2-CD1 3.68Å; L159-L164 HydrophobicContact CG-CD1 4Å; L159-A169 VanDerWaalsContact CD2-CA 3.5Å; L159-A169 HydrophobicContact CD2-CB 3.47Å; L159-A169 VanDerWaalsContact CD2-CB 3.47Å; L159-V172 HydrophobicContact CD1-CG1 4.42Å; L159-R174 HydrophobicContact CD1-CG 3.44Å; L159-R174 VanDerWaalsContact CD1-CG 3.44Å |
| 160 | E | 92.6 | Very high | 92.7 | Very high | 128 Ų | 128 | 85.4 Ų | 85.4 | 60% | 0.598 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -72.5 | -40.4 | 176.9 | -75.5 | 177.4 | -177.9 | 0 | 0 | 111.9 | N156 A157 G162 | N156-E160 VanDerWaalsContact ND2-CD 3.31Å; N156-E160 PolarHBondContact ND2-OE1 3.33Å; N156-E160 WeakPolarHBondContact O-CB 3.29Å; N156-E160 WeakPolarHBondContact O-CG 3.49Å; N156-E160 PolarHBondContact O-N 2.75Å; A157-E160 PolarHBondContact O-N 2.83Å; E160-G162 PolarHBondContact O-N 3.32Å |
| 161 | N | 92.9 | Very high | 92.5 | Very high | 126 Ų | 126 | 87.8 Ų | 87.8 | 67% | 0.674 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -9.1 | 177.9 | -65.4 | -18.4 | 0 | 0 | 0 | 113.1 | A157 S163 | A157-N161 VanDerWaalsContact O-CB 3.26Å; A157-N161 WeakPolarHBondContact O-CB 3.2Å; A157-N161 PolarHBondContact O-N 3.37Å; A157-N161 PolarHBondContact O-ND2 2.97Å; N161-S163 PolarHBondContact O-N 3.27Å |
| 162 | G | 90.5 | Very high | 92.4 | Very high | 58 Ų | 58 | 83.3 Ų | 83.3 | 60% | 0.598 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 18.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L158 E160 L164 | L158-G162 PolarHBondContact O-N 2.72Å; E160-G162 PolarHBondContact O-N 3.32Å; G162-L164 PolarHBondContact O-N 3.3Å |
| 163 | S | 93.1 | Very high | 92.1 | Very high | 77 Ų | 77 | 86.4 Ų | 86.4 | 54% | 0.538 | 46% | 0.456 | S | S | . | . | trans | -70.6 | -18.6 | -179 | -52.3 | 0 | 0 | 0 | 0 | 112.7 | L158 N161 | L158-S163 PolarHBondContact O-N 3.1Å; N161-S163 PolarHBondContact O-N 3.27Å | ||
| 164 | L | 90.6 | Very high | 91.8 | Very high | 48 Ų | 48 | 87.8 Ų | 87.8 | 25% | 0.251 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -93.5 | 138.8 | 175.1 | -68.1 | 173.2 | 0 | 0 | 0 | 111.5 | L155 L158 L159 G162 R166 A169 | L155-L164 HydrophobicContact CD1-CD1 3.96Å; L158-L164 HydrophobicContact CB-CD1 4.09Å; L158-L164 HydrophobicContact CB-CG 4.14Å; L159-L164 HydrophobicContact CD2-CB 4.47Å; L159-L164 HydrophobicContact CD2-CD1 3.68Å; L159-L164 HydrophobicContact CG-CD1 4Å; G162-L164 PolarHBondContact O-N 3.3Å; L164-R166 PolarHBondContact O-N 2.8Å; L164-A169 HydrophobicContact CB-CB 4.48Å |
| 165 | P | 93.5 | Very high | 91.6 | Very high | 85 Ų | 85 | 87.3 Ų | 87.3 | 55% | 0.552 | 44% | 0.444 | S | S | * | . | trans | -53.4 | 136.1 | 173.6 | -24.7 | 32.9 | 0 | 0 | 0 | 111.1 | R167 V168 A169 | P165-R167 PolarHBondContact O-N 2.95Å; P165-V168 HydrophobicContact CB-CG2 4.27Å; P165-V168 HydrophobicContact CG-CG2 4.45Å; P165-V168 WeakPolarHBondContact O-CA 3.07Å; P165-V168 WeakPolarHBondContact O-CB 3.42Å; P165-V168 PolarHBondContact O-N 2.65Å; P165-A169 PolarHBondContact O-N 3.07Å | ||
| 166 | R | 89.8 | Confident | 91.6 | Very high | 189 Ų | 189 | 87 Ų | 87 | 71% | 0.713 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -55.4 | -28.7 | -174.6 | -169.7 | 173 | 177.4 | 160.7 | -5.9 | 113.9 | L164 R170 | L164-R166 PolarHBondContact O-N 2.8Å; R166-R170 VanDerWaalsContact NE-NH2 3.1Å; R166-R170 WeakPolarHBondContact O-CG 3.06Å; R166-R170 PolarHBondContact O-N 2.77Å |
| 167 | R | 92.3 | Very high | 91.7 | Very high | 212 Ų | 212 | 89.4 Ų | 89.4 | 80% | 0.8 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.8 | -37.1 | 175.3 | -64.9 | -171.4 | -173.8 | -161.8 | 2.9 | 112.4 | P165 | P165-R167 PolarHBondContact O-N 2.95Å |
| 168 | V | 91.7 | Very high | 91.8 | Very high | 68 Ų | 68 | 88.5 Ų | 88.5 | 41% | 0.412 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -76.9 | -46.5 | 177.6 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | P165 R170 K171 V172 | P165-V168 HydrophobicContact CB-CG2 4.27Å; P165-V168 HydrophobicContact CG-CG2 4.45Å; P165-V168 WeakPolarHBondContact O-CA 3.07Å; P165-V168 WeakPolarHBondContact O-CB 3.42Å; P165-V168 PolarHBondContact O-N 2.65Å; V168-R170 PolarHBondContact O-N 2.75Å; V168-K171 PolarHBondContact O-N 3.48Å; V168-V172 HydrophobicContact CG1-CG2 4.11Å; V168-V172 WeakPolarHBondContact O-CG2 2.97Å; V168-V172 PolarHBondContact O-N 3.02Å |
| 169 | A | 90.8 | Very high | 92 | Very high | 31 Ų | 31 | 91.3 Ų | 91.3 | 26% | 0.256 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -56.1 | -29.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | L159 L164 P165 | L159-A169 VanDerWaalsContact CD2-CA 3.5Å; L159-A169 HydrophobicContact CD2-CB 3.47Å; L159-A169 VanDerWaalsContact CD2-CB 3.47Å; L164-A169 HydrophobicContact CB-CB 4.48Å; P165-A169 PolarHBondContact O-N 3.07Å |
| 170 | R | 89.9 | Confident | 92.2 | Very high | 176 Ų | 176 | 91.6 Ų | 91.6 | 66% | 0.664 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -19.6 | 177.5 | -68.5 | 179.4 | -151.8 | 151.1 | 0.7 | 114.3 | R166 V168 | R166-R170 VanDerWaalsContact NE-NH2 3.1Å; R166-R170 WeakPolarHBondContact O-CG 3.06Å; R166-R170 PolarHBondContact O-N 2.77Å; V168-R170 PolarHBondContact O-N 2.75Å |
| 171 | K | 91.9 | Very high | 92.5 | Very high | 187 Ų | 187 | 88.9 Ų | 88.9 | 81% | 0.813 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -12.6 | -176.7 | -65 | -176.3 | 177.9 | -173.2 | 0 | 112.7 | V168 | V168-K171 PolarHBondContact O-N 3.48Š|
| 172 | V | 90.4 | Very high | 92.7 | Very high | 48 Ų | 48 | 90.3 Ų | 90.3 | 29% | 0.291 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -102 | 129.1 | -170.9 | -179.6 | 0 | 0 | 0 | 0 | 110.2 | L155 L159 V168 | L155-V172 HydrophobicContact CD1-CG1 3.92Å; L155-V172 HydrophobicContact CD2-CG1 3.51Å; L155-V172 HydrophobicContact CG-CG1 4.02Å; L159-V172 HydrophobicContact CD1-CG1 4.42Å; V168-V172 HydrophobicContact CG1-CG2 4.11Å; V168-V172 WeakPolarHBondContact O-CG2 2.97Å; V168-V172 PolarHBondContact O-N 3.02Å |
| 173 | S | 88.6 | Confident | 93.1 | Very high | 70 Ų | 70 | 92.6 Ų | 92.6 | 49% | 0.49 | 44% | 0.437 | S | S | . | . | trans | -76.5 | 136.9 | 171.8 | -173.3 | 0 | 0 | 0 | 0 | 110.3 | N175 | S173-N175 PolarHBondContact OG-N 3.43Å; S173-N175 PolarHBondContact OG-O 3.42Å | ||
| 174 | R | 87.5 | Confident | 93.3 | Very high | 118 Ų | 118 | 91.4 Ų | 91.4 | 45% | 0.445 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -82.4 | -16.1 | 175.7 | -69.3 | 172.7 | -177.1 | -176.2 | -1.7 | 113.5 | N156 L159 | N156-R174 WeakPolarHBondContact OD1-CD 3.29Å; L159-R174 HydrophobicContact CD1-CG 3.44Å; L159-R174 VanDerWaalsContact CD1-CG 3.44Å |
| 175 | N | 89.8 | Confident | 93.7 | Very high | 45 Ų | 45 | 92.4 Ų | 92.4 | 24% | 0.241 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -135 | 152.9 | -173 | -60.3 | -57.9 | 0 | 0 | 0 | 109.8 | R148 S173 | R148-N175 PolarHBondContact NE-OD1 2.82Å; R148-N175 PolarHBondContact NH2-OD1 3.47Å; S173-N175 PolarHBondContact OG-N 3.43Å; S173-N175 PolarHBondContact OG-O 3.42Å |
| 176 | P | 94.1 | Very high | 93.9 | Very high | 11 Ų | 11 | 89.1 Ų | 89.1 | 7% | 0.071 | 41% | 0.41 | C | S | . | . | trans | -52.7 | 146.6 | 162.4 | -23.7 | 33.7 | 0 | 0 | 0 | 111 | C144 C208 I209 | C144-P176 HydrophobicContact CB-CB 3.81Å; C144-P176 HydrophobicContact CB-CG 4.38Å; C144-P176 WeakPolarHBondContact CB-O 3.37Å; P176-C208 HydrophobicContact CB-CB 4.28Å; P176-I209 CarbonylContact C-O 3.53Å; P176-I209 WeakPolarHBondContact CA-O 3.27Å; P176-I209 WeakPolarHBondContact CB-O 3.47Å | ||
| 177 | C | 94.6 | Very high | 94.2 | Very high | 67 Ų | 67 | 83.1 Ų | 83.1 | 45% | 0.453 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 140.1 | 177.9 | -67.1 | 0 | 0 | 0 | 0 | 110.6 | R179 I209 | C177-R179 HydrophobicContact CB-CG 4.08Å; C177-R179 PolarHBondContact O-N 3.29Å; C177-I209 PolarHBondContact N-O 3.21Å; C177-I209 PolarHBondContact O-N 3.25Å |
| 178 | C | 96.7 | Very high | 94.5 | Very high | 21 Ų | 21 | 73.1 Ų | 73.1 | 14% | 0.142 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 109.5 | 171 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | C113 V141 | C113-C178 WeakPolarHBondContact CA-SG 3.4Å; C113-C178 HydrophobicContact CB-CB 3.78Å; C113-C178 WeakPolarHBondContact CB-SG 3.43Å; C113-C178 VanDerWaalsContact SG-CA 3.53Å; C113-C178 WeakPolarHBondContact SG-CB 3.03Å; C113-C178 CovalentContact SG-SG 2.04Å; C113-C178 PolarHBondContact SG-SG 2.9Å; V141-C178 PolarHBondContact O-SG 3.34Å; V141-C178 VanDerWaalsContact O-SG 3.4Å |
| 179 | R | 97.6 | Very high | 94.7 | Very high | 138 Ų | 138 | 72.7 Ų | 72.7 | 52% | 0.521 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 156.9 | -174.2 | -69 | -66.8 | -67.4 | 164.8 | -1.5 | 111.3 | C140 C177 C206 M207 I209 | C140-R179 VanDerWaalsContact SG-C 3.55Å; C177-R179 HydrophobicContact CB-CG 4.08Å; C177-R179 PolarHBondContact O-N 3.29Å; R179-C206 WeakPolarHBondContact O-CA 3.18Å; R179-M207 PolarHBondContact N-O 2.97Å; R179-M207 PolarHBondContact O-N 3.22Å; R179-I209 HydrophobicContact CB-CD1 3.88Å; R179-I209 HydrophobicContact CB-CG1 4.38Å |
| 180 | P | 98.2 | Very high | 94.8 | Very high | 21 Ų | 21 | 72.3 Ų | 72.3 | 14% | 0.136 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 136.3 | 174.1 | -15.5 | 28.8 | 0 | 0 | 0 | 111 | C140 Y183 A203 S205 | C140-P180 WeakPolarHBondContact SG-CA 3.41Å; P180-Y183 HydrophobicContact CB-CD1 4.4Å; P180-Y183 HydrophobicContact CB-CE1 3.73Å; P180-Y183 HydrophobicContact CB-CE2 4.17Å; P180-Y183 HydrophobicContact CG-CE1 3.83Å; P180-A203 HydrophobicContact CB-CB 3.99Å; P180-A203 HydrophobicContact CG-CB 4.06Å; P180-S205 VanDerWaalsContact CA-O 3.29Å; P180-S205 WeakPolarHBondContact CA-O 3.27Å |
| 181 | D | 97.4 | Very high | 95 | Very high | 70 Ų | 70 | 68.6 Ų | 68.6 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -38.2 | 170.6 | 172.7 | 49.4 | 0 | 0 | 0 | 111.1 | S205 M207 | D181-S205 PolarHBondContact N-O 3.49Å; D181-M207 HydrophobicContact CB-CB 4.49Å; D181-M207 HydrophobicContact CB-CE 3.47Å; D181-M207 VanDerWaalsContact CB-CE 3.47Å; D181-M207 HydrophobicContact CB-CG 3.85Å; D181-M207 HydrophobicContact CB-SD 3.79Å; D181-M207 WeakPolarHBondContact OD1-CE 3.5Å; D181-M207 WeakPolarHBondContact OD2-CE 3.45Å |
| 182 | R | 98 | Very high | 95 | Very high | 157 Ų | 157 | 63 Ų | 63 | 59% | 0.592 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 155.5 | 178.1 | -63.4 | -168.2 | -63.8 | -106 | 5.1 | 111.1 | A204 | R182-A204 HydrophobicContact CB-CB 4.06Å; R182-A204 PolarHBondContact O-N 2.86Å |
| 183 | Y | 98.6 | Very high | 95.1 | Very high | 106 Ų | 106 | 65.8 Ų | 65.8 | 42% | 0.416 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 157.6 | 178.4 | -59.7 | -93.4 | 0 | 0 | 0 | 111.1 | P180 S202 | P180-Y183 HydrophobicContact CB-CD1 4.4Å; P180-Y183 HydrophobicContact CB-CE1 3.73Å; P180-Y183 HydrophobicContact CB-CE2 4.17Å; P180-Y183 HydrophobicContact CG-CE1 3.83Å; Y183-S202 CarbonylContact C-O 3.52Å; Y183-S202 WeakPolarHBondContact CA-O 3.35Å |
| 184 | E | 98.3 | Very high | 95.5 | Very high | 51 Ų | 51 | 65.5 Ų | 65.5 | 24% | 0.238 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.7 | 172.6 | 69.6 | -171.3 | 177.1 | 0 | 0 | 110 | K138 L201 S202 A204 | K138-E184 WeakPolarHBondContact CD-OE1 3.19Å; K138-E184 WeakPolarHBondContact CE-OE1 3.47Å; K138-E184 IonicContact NZ-OE1 2.85Å; K138-E184 PolarHBondContact NZ-OE1 2.86Å; K138-E184 IonicContact NZ-OE2 3.06Å; K138-E184 PolarHBondContact NZ-OE2 3.38Å; E184-L201 PolarHBondContact O-N 3.23Å; E184-S202 PolarHBondContact N-O 3.42Å; E184-S202 PolarHBondContact O-N 2.91Å; E184-S202 VanDerWaalsContact O-N 3.11Å; E184-S202 WeakPolarHBondContact OE1-CB 3.2Å; E184-S202 PolarHBondContact OE1-OG 3.3Å; E184-A204 HydrophobicContact CB-CB 4.43Å |
| 185 | P | 98.1 | Very high | 95.8 | Very high | 69 Ų | 69 | 68 Ų | 68 | 45% | 0.448 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 157.7 | 175 | 31.2 | -34.6 | 0 | 0 | 0 | 111.4 | T197 I198 | P185-T197 HydrophobicContact CB-CG2 3.86Å; P185-I198 WeakPolarHBondContact CA-O 3.41Å |
| 186 | V | 97.7 | Very high | 96.2 | Very high | 16 Ų | 16 | 71.4 Ų | 71.4 | 10% | 0.097 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126 | 172.3 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | V135 T197 I198 L201 | V135-V186 HydrophobicContact CB-CG1 3.75Å; V135-V186 HydrophobicContact CG1-CG1 3.58Å; V135-V186 HydrophobicContact CG2-CG1 4.14Å; V186-T197 WeakPolarHBondContact O-CA 3.38Å; V186-I198 PolarHBondContact N-O 3.15Å; V186-I198 PolarHBondContact O-N 2.97Å; V186-L201 HydrophobicContact CB-CD2 3.91Å; V186-L201 HydrophobicContact CG1-CD2 4.48Å; V186-L201 HydrophobicContact CG2-CB 4.18Å; V186-L201 HydrophobicContact CG2-CD2 3.92Å; V186-L201 HydrophobicContact CG2-CG 4.32Å |
| 187 | S | 97 | Very high | 96.3 | Very high | 64 Ų | 64 | 74.3 Ų | 74.3 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 141.9 | 177.2 | -57.1 | 0 | 0 | 0 | 0 | 111 | R196 T197 | S187-R196 CarbonylContact C-O 3.57Å; S187-R196 VanDerWaalsContact CA-O 3.22Å; S187-R196 WeakPolarHBondContact CA-O 2.92Å; S187-T197 WeakPolarHBondContact OG-CG2 3.15Å; S187-T197 PolarHBondContact OG-OG1 3.21Å |
| 188 | F | 97.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 72.3 Ų | 72.3 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 166.4 | 179.8 | 59.9 | -89.1 | 0 | 0 | 0 | 110.2 | V122 F129 E133 V135 R196 I198 | V122-F188 HydrophobicContact CB-CD2 4.37Å; V122-F188 HydrophobicContact CB-CG 4.44Å; V122-F188 HydrophobicContact CG1-CD1 4.07Å; V122-F188 HydrophobicContact CG1-CD2 3.86Å; V122-F188 HydrophobicContact CG1-CE1 3.8Å; V122-F188 HydrophobicContact CG1-CE2 3.6Å; V122-F188 HydrophobicContact CG1-CG 4.11Å; V122-F188 HydrophobicContact CG1-CZ 3.56Å; V122-F188 HydrophobicContact CG2-CB 3.87Å; V122-F188 HydrophobicContact CG2-CD1 3.84Å; V122-F188 HydrophobicContact CG2-CD2 3.98Å; V122-F188 HydrophobicContact CG2-CE1 4.4Å; V122-F188 HydrophobicContact CG2-CG 3.61Å; F129-F188 HydrophobicContact CB-CE2 4.07Å; F129-F188 HydrophobicContact CB-CZ 3.9Å; F129-F188 HydrophobicContact CD1-CE2 4.01Å; F129-F188 AromaticContact CD1-CZ 3.6Å; F129-F188 HydrophobicContact CD1-CZ 3.6Å; F129-F188 HydrophobicContact CD2-CZ 4.08Å; F129-F188 HydrophobicContact CE1-CZ 4.1Å; F129-F188 HydrophobicContact CG-CE2 4.13Å; F129-F188 AromaticContact CG-CZ 3.58Å; F129-F188 HydrophobicContact CG-CZ 3.58Å; E133-F188 HydrophobicContact CB-CB 4.23Å; E133-F188 HydrophobicContact CG-CB 4.24Å; E133-F188 VanDerWaalsContact OE2-CA 3.24Å; E133-F188 WeakPolarHBondContact OE2-CA 3.24Å; E133-F188 VanDerWaalsContact OE2-CB 3.29Å; E133-F188 WeakPolarHBondContact OE2-CB 3.33Å; V135-F188 HydrophobicContact CG1-CB 4.36Å; F188-R196 HydrophobicContact CD2-CB 4.49Å; F188-R196 HydrophobicContact CE1-CB 4.44Å; F188-R196 HydrophobicContact CE2-CB 3.96Å; F188-R196 HydrophobicContact CE2-CG 4.38Å; F188-R196 HydrophobicContact CZ-CB 3.93Å; F188-R196 PolarHBondContact N-O 3.24Å; F188-R196 PolarHBondContact O-N 3.03Å; F188-R196 VanDerWaalsContact O-O 3.12Å; F188-I198 HydrophobicContact CE1-CD1 3.53Å; F188-I198 HydrophobicContact CE1-CG1 3.78Å; F188-I198 HydrophobicContact CZ-CD1 3.96Å; F188-I198 HydrophobicContact CZ-CG1 4.27Å |
| 189 | M | 96.1 | Very high | 96.5 | Very high | 59 Ų | 59 | 77.6 Ų | 77.6 | 29% | 0.291 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 135.2 | 170.8 | -70.5 | 178.2 | 65 | 0 | 0 | 110.8 | S131 E133 T193 T194 W195 | S131-M189 WeakPolarHBondContact CB-O 3.29Å; S131-M189 PolarHBondContact OG-O 2.8Å; E133-M189 PolarHBondContact OE2-N 3.34Å; M189-T193 HydrophobicContact CE-CG2 4.06Å; M189-T193 WeakPolarHBondContact CE-O 3.42Å; M189-T194 WeakPolarHBondContact CA-O 3.41Å; M189-W195 HydrophobicContact CG-CD2 3.56Å; M189-W195 HydrophobicContact CG-CE3 3.58Å; M189-W195 HydrophobicContact CG-CG 4.25Å; M189-W195 HydrophobicContact CG-CH2 3.75Å; M189-W195 HydrophobicContact CG-CZ2 3.73Å; M189-W195 HydrophobicContact CG-CZ3 3.68Å; M189-W195 HydrophobicContact SD-CD2 4.35Å; M189-W195 HydrophobicContact SD-CH2 3.9Å; M189-W195 HydrophobicContact SD-CZ2 3.53Å; M189-W195 VanDerWaalsContact SD-CZ2 3.53Å; M189-W195 HydrophobicContact SD-CZ3 4.44Å |
| 190 | D | 93.2 | Very high | 96.5 | Very high | 24 Ų | 24 | 74.7 Ų | 74.7 | 13% | 0.128 | 39% | 0.386 | C | S | . | . | trans | -78.9 | 175.4 | 171.4 | 64.7 | 27 | 0 | 0 | 0 | 112.4 | S192 T193 T194 R196 | D190-S192 VanDerWaalsContact CG-OG 3.26Å; D190-S192 PolarHBondContact O-N 2.87Å; D190-S192 VanDerWaalsContact O-N 3.14Å; D190-S192 WeakPolarHBondContact OD1-CA 3.36Å; D190-S192 WeakPolarHBondContact OD1-CB 2.95Å; D190-S192 PolarHBondContact OD1-N 2.99Å; D190-S192 PolarHBondContact OD1-OG 2.81Å; D190-S192 PolarHBondContact OD2-OG 3.16Å; D190-T193 PolarHBondContact O-N 3.44Å; D190-T193 PolarHBondContact OD1-N 3.12Å; D190-T194 PolarHBondContact N-O 3.2Å; D190-T194 WeakPolarHBondContact OD1-CB 3.47Å; D190-T194 PolarHBondContact OD1-N 3.33Å; D190-T194 WeakPolarHBondContact OD2-CB 3.46Å; D190-R196 HydrophobicContact CB-CG 4.31Å; D190-R196 IonicContact OD2-CZ 2.79Å; D190-R196 IonicContact OD2-NE 3.34Å; D190-R196 PolarHBondContact OD2-NE 3.07Å; D190-R196 IonicContact OD2-NH2 3.6Å; D190-R196 PolarHBondContact OD2-NH2 3.13Å | ||
| 191 | T | 93.4 | Very high | 96.4 | Very high | 98 Ų | 98 | 75 Ų | 75 | 60% | 0.601 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20.5 | 176.2 | 45.8 | 0 | 0 | 0 | 0 | 113.8 | D130 T193 | D130-T191 VanDerWaalsContact O-CG2 3.25Å; D130-T191 WeakPolarHBondContact O-CG2 3.34Å; D130-T191 PolarHBondContact O-N 2.77Å; T191-T193 VanDerWaalsContact C-N 3.27Å |
| 192 | S | 92.7 | Very high | 96.4 | Very high | 70 Ų | 70 | 71.7 Ų | 71.7 | 49% | 0.49 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 9.2 | 174.8 | 76.5 | 0 | 0 | 0 | 0 | 113.2 | D190 T194 | D190-S192 VanDerWaalsContact CG-OG 3.26Å; D190-S192 PolarHBondContact O-N 2.87Å; D190-S192 VanDerWaalsContact O-N 3.14Å; D190-S192 WeakPolarHBondContact OD1-CA 3.36Å; D190-S192 WeakPolarHBondContact OD1-CB 2.95Å; D190-S192 PolarHBondContact OD1-N 2.99Å; D190-S192 PolarHBondContact OD1-OG 2.81Å; D190-S192 PolarHBondContact OD2-OG 3.16Å; S192-T194 PolarHBondContact O-N 3.04Å; S192-T194 PolarHBondContact OG-OG1 3.4Å; S192-T194 VanDerWaalsContact OG-OG1 3.05Å |
| 193 | T | 93.1 | Very high | 96.5 | Very high | 106 Ų | 106 | 64.4 Ų | 64.4 | 65% | 0.65 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 60.2 | 26.7 | -175.7 | 64 | 0 | 0 | 0 | 0 | 114 | M189 D190 T191 | M189-T193 HydrophobicContact CE-CG2 4.06Å; M189-T193 WeakPolarHBondContact CE-O 3.42Å; D190-T193 PolarHBondContact O-N 3.44Å; D190-T193 PolarHBondContact OD1-N 3.12Å; T191-T193 VanDerWaalsContact C-N 3.27Å |
| 194 | T | 95.4 | Very high | 96.4 | Very high | 64 Ų | 64 | 61.4 Ų | 61.4 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | trans | -97.4 | 132.2 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 109.6 | M189 D190 S192 R196 | M189-T194 WeakPolarHBondContact CA-O 3.41Å; D190-T194 PolarHBondContact N-O 3.2Å; D190-T194 WeakPolarHBondContact OD1-CB 3.47Å; D190-T194 PolarHBondContact OD1-N 3.33Å; D190-T194 WeakPolarHBondContact OD2-CB 3.46Å; S192-T194 PolarHBondContact O-N 3.04Å; S192-T194 PolarHBondContact OG-OG1 3.4Å; S192-T194 VanDerWaalsContact OG-OG1 3.05Å; T194-R196 PolarHBondContact O-N 3.02Å | ||
| 195 | W | 95.7 | Very high | 96.4 | Very high | 169 Ų | 169 | 60.1 Ų | 60.1 | 64% | 0.64 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 130.7 | 173.7 | -72 | 103.2 | 0 | 0 | 0 | 111 | M189 | M189-W195 HydrophobicContact CG-CD2 3.56Å; M189-W195 HydrophobicContact CG-CE3 3.58Å; M189-W195 HydrophobicContact CG-CG 4.25Å; M189-W195 HydrophobicContact CG-CH2 3.75Å; M189-W195 HydrophobicContact CG-CZ2 3.73Å; M189-W195 HydrophobicContact CG-CZ3 3.68Å; M189-W195 HydrophobicContact SD-CD2 4.35Å; M189-W195 HydrophobicContact SD-CH2 3.9Å; M189-W195 HydrophobicContact SD-CZ2 3.53Å; M189-W195 VanDerWaalsContact SD-CZ2 3.53Å; M189-W195 HydrophobicContact SD-CZ3 4.44Å |
| 196 | R | 96.6 | Very high | 96.4 | Very high | 117 Ų | 117 | 58.1 Ų | 58.1 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 149.7 | 174.6 | -57.7 | -61.6 | -174.5 | 146.8 | 0.1 | 109 | S187 F188 D190 T194 | S187-R196 CarbonylContact C-O 3.57Å; S187-R196 VanDerWaalsContact CA-O 3.22Å; S187-R196 WeakPolarHBondContact CA-O 2.92Å; F188-R196 HydrophobicContact CD2-CB 4.49Å; F188-R196 HydrophobicContact CE1-CB 4.44Å; F188-R196 HydrophobicContact CE2-CB 3.96Å; F188-R196 HydrophobicContact CE2-CG 4.38Å; F188-R196 HydrophobicContact CZ-CB 3.93Å; F188-R196 PolarHBondContact N-O 3.24Å; F188-R196 PolarHBondContact O-N 3.03Å; F188-R196 VanDerWaalsContact O-O 3.12Å; D190-R196 HydrophobicContact CB-CG 4.31Å; D190-R196 IonicContact OD2-CZ 2.79Å; D190-R196 IonicContact OD2-NE 3.34Å; D190-R196 PolarHBondContact OD2-NE 3.07Å; D190-R196 IonicContact OD2-NH2 3.6Å; D190-R196 PolarHBondContact OD2-NH2 3.13Å; T194-R196 PolarHBondContact O-N 3.02Å |
| 197 | T | 97.2 | Very high | 96.4 | Very high | 73 Ų | 73 | 61 Ų | 61 | 45% | 0.448 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.6 | 173 | -59 | 0 | 0 | 0 | 0 | 108.5 | P185 V186 S187 E199 | P185-T197 HydrophobicContact CB-CG2 3.86Å; V186-T197 WeakPolarHBondContact O-CA 3.38Å; S187-T197 WeakPolarHBondContact OG-CG2 3.15Å; S187-T197 PolarHBondContact OG-OG1 3.21Å; T197-E199 WeakPolarHBondContact CG2-OE1 3.45Å |
| 198 | I | 96.8 | Very high | 96.3 | Very high | 25 Ų | 25 | 60.1 Ų | 60.1 | 13% | 0.128 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 113.6 | 170.3 | -57.3 | 168.7 | 0 | 0 | 0 | 107.2 | L127 F129 P185 V186 F188 L201 | L127-I198 HydrophobicContact CD1-CD1 3.9Å; L127-I198 HydrophobicContact CD1-CG2 4.45Å; F129-I198 HydrophobicContact CD2-CD1 3.51Å; F129-I198 HydrophobicContact CD2-CG1 4.24Å; F129-I198 HydrophobicContact CE2-CD1 3.28Å; F129-I198 HydrophobicContact CE2-CG1 3.56Å; F129-I198 HydrophobicContact CG-CD1 4.41Å; F129-I198 HydrophobicContact CZ-CD1 4.04Å; F129-I198 HydrophobicContact CZ-CG1 3.83Å; P185-I198 WeakPolarHBondContact CA-O 3.41Å; V186-I198 PolarHBondContact N-O 3.15Å; V186-I198 PolarHBondContact O-N 2.97Å; F188-I198 HydrophobicContact CE1-CD1 3.53Å; F188-I198 HydrophobicContact CE1-CG1 3.78Å; F188-I198 HydrophobicContact CZ-CD1 3.96Å; F188-I198 HydrophobicContact CZ-CG1 4.27Å; I198-L201 HydrophobicContact CB-CB 4.35Å; I198-L201 HydrophobicContact CB-CD2 4.26Å; I198-L201 HydrophobicContact CD1-CD2 4.13Å; I198-L201 HydrophobicContact CG2-CB 3.95Å; I198-L201 HydrophobicContact CG2-CD1 4.49Å; I198-L201 HydrophobicContact CG2-CD2 4.32Å; I198-L201 HydrophobicContact CG2-CG 4.48Å |
| 199 | E | 97.7 | Very high | 96.2 | Very high | 131 Ų | 131 | 64 Ų | 64 | 61% | 0.612 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 145.6 | 175.8 | -66 | -58 | 147.2 | 0 | 0 | 111.3 | T197 L201 | T197-E199 WeakPolarHBondContact CG2-OE1 3.45Å; E199-L201 VanDerWaalsContact C-N 3.33Å; E199-L201 PolarHBondContact O-N 3.38Å |
| 200 | S | 97.6 | Very high | 95.7 | Very high | 77 Ų | 77 | 66.3 Ų | 66.3 | 54% | 0.538 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.9 | 40 | 174.4 | -54.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 201 | L | 96.9 | Very high | 95.8 | Very high | 29 Ų | 29 | 68.5 Ų | 68.5 | 15% | 0.152 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -50.7 | -176.9 | 178.9 | 61.1 | 0 | 0 | 0 | 113.3 | L125 L127 F137 E184 V186 I198 E199 | L125-L201 HydrophobicContact CD1-CD2 3.82Å; L127-L201 HydrophobicContact CD1-CD1 3.56Å; L127-L201 HydrophobicContact CD1-CD2 4.39Å; F137-L201 HydrophobicContact CD2-CG 4.29Å; F137-L201 HydrophobicContact CE2-CD1 4.08Å; F137-L201 HydrophobicContact CE2-CG 4.05Å; F137-L201 VanDerWaalsContact CE2-O 3.31Å; F137-L201 WeakPolarHBondContact CE2-O 3.33Å; E184-L201 PolarHBondContact O-N 3.23Å; V186-L201 HydrophobicContact CB-CD2 3.91Å; V186-L201 HydrophobicContact CG1-CD2 4.48Å; V186-L201 HydrophobicContact CG2-CB 4.18Å; V186-L201 HydrophobicContact CG2-CD2 3.92Å; V186-L201 HydrophobicContact CG2-CG 4.32Å; I198-L201 HydrophobicContact CB-CB 4.35Å; I198-L201 HydrophobicContact CB-CD2 4.26Å; I198-L201 HydrophobicContact CD1-CD2 4.13Å; I198-L201 HydrophobicContact CG2-CB 3.95Å; I198-L201 HydrophobicContact CG2-CD1 4.49Å; I198-L201 HydrophobicContact CG2-CD2 4.32Å; I198-L201 HydrophobicContact CG2-CG 4.48Å; E199-L201 VanDerWaalsContact C-N 3.33Å; E199-L201 PolarHBondContact O-N 3.38Å |
| 202 | S | 98 | Very high | 96 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 143.8 | -170.5 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | K138 Y183 E184 A204 | K138-S202 WeakPolarHBondContact CB-OG 3.26Å; K138-S202 WeakPolarHBondContact CG-OG 3.39Å; K138-S202 PolarHBondContact N-OG 3.48Å; Y183-S202 CarbonylContact C-O 3.52Å; Y183-S202 WeakPolarHBondContact CA-O 3.35Å; E184-S202 PolarHBondContact N-O 3.42Å; E184-S202 PolarHBondContact O-N 2.91Å; E184-S202 VanDerWaalsContact O-N 3.11Å; E184-S202 WeakPolarHBondContact OE1-CB 3.2Å; E184-S202 PolarHBondContact OE1-OG 3.3Å; S202-A204 PolarHBondContact O-N 3.13Å |
| 203 | A | 98.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 66.7 Ų | 66.7 | 3% | 0.025 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 124.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K138 P180 | K138-A203 WeakPolarHBondContact CB-O 3.21Å; K138-A203 WeakPolarHBondContact CD-O 3.2Å; K138-A203 WeakPolarHBondContact O-CB 3.48Å; K138-A203 PolarHBondContact O-N 3.07Å; P180-A203 HydrophobicContact CB-CB 3.99Å; P180-A203 HydrophobicContact CG-CB 4.06Å |
| 204 | A | 98.1 | Very high | 96.3 | Very high | 44 Ų | 44 | 64.4 Ų | 64.4 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -34.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R182 E184 S202 | R182-A204 HydrophobicContact CB-CB 4.06Å; R182-A204 PolarHBondContact O-N 2.86Å; E184-A204 HydrophobicContact CB-CB 4.43Å; S202-A204 PolarHBondContact O-N 3.13Å |
| 205 | S | 97.9 | Very high | 96.4 | Very high | 23 Ų | 23 | 64.4 Ų | 64.4 | 16% | 0.161 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 154.1 | 177 | 51.2 | 0 | 0 | 0 | 0 | 110.8 | P180 D181 | P180-S205 VanDerWaalsContact CA-O 3.29Å; P180-S205 WeakPolarHBondContact CA-O 3.27Å; D181-S205 PolarHBondContact N-O 3.49Å |
| 206 | C | 97.8 | Very high | 96.4 | Very high | 27 Ų | 27 | 57.5 Ų | 57.5 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 145.5 | 178 | -57.9 | 0 | 0 | 0 | 0 | 111 | R114 V115 C140 R179 | R114-C206 VanDerWaalsContact C-SG 3.58Å; R114-C206 PolarHBondContact O-SG 3.13Å; V115-C206 HydrophobicContact CG2-CB 4.26Å; V115-C206 WeakPolarHBondContact CG2-SG 3.37Å; C140-C206 WeakPolarHBondContact CA-SG 3.46Å; C140-C206 HydrophobicContact CB-CB 3.82Å; C140-C206 WeakPolarHBondContact CB-SG 3.48Å; C140-C206 VanDerWaalsContact SG-CA 3.59Å; C140-C206 WeakPolarHBondContact SG-CB 3.32Å; C140-C206 CovalentContact SG-SG 2.02Å; C140-C206 PolarHBondContact SG-SG 2.83Å; R179-C206 WeakPolarHBondContact O-CA 3.18Å |
| 207 | M | 97 | Very high | 96.4 | Very high | 78 Ų | 78 | 53.2 Ų | 53.2 | 38% | 0.384 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 164.4 | 174.3 | 66.4 | 176.5 | 38.4 | 0 | 0 | 111.8 | R179 D181 I209 | R179-M207 PolarHBondContact N-O 2.97Å; R179-M207 PolarHBondContact O-N 3.22Å; D181-M207 HydrophobicContact CB-CB 4.49Å; D181-M207 HydrophobicContact CB-CE 3.47Å; D181-M207 VanDerWaalsContact CB-CE 3.47Å; D181-M207 HydrophobicContact CB-CG 3.85Å; D181-M207 HydrophobicContact CB-SD 3.79Å; D181-M207 WeakPolarHBondContact OD1-CE 3.5Å; D181-M207 WeakPolarHBondContact OD2-CE 3.45Å; M207-I209 HydrophobicContact CG-CD1 4.13Å; M207-I209 HydrophobicContact CG-CG1 3.82Å; M207-I209 HydrophobicContact SD-CD1 4.4Å; M207-I209 HydrophobicContact SD-CG1 4.26Å |
| 208 | C | 96.6 | Very high | 96.4 | Very high | 44 Ų | 44 | 51.7 Ų | 51.7 | 30% | 0.297 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 117.3 | 175.5 | -67.2 | 0 | 0 | 0 | 0 | 109.9 | C144 S147 P176 | C144-C208 VanDerWaalsContact CA-SG 3.54Å; C144-C208 HydrophobicContact CB-CB 3.56Å; C144-C208 WeakPolarHBondContact CB-SG 3.47Å; C144-C208 WeakPolarHBondContact SG-CA 3.42Å; C144-C208 WeakPolarHBondContact SG-CB 3.48Å; C144-C208 CovalentContact SG-SG 2.02Å; C144-C208 PolarHBondContact SG-SG 2.04Å; S147-C208 WeakPolarHBondContact OG-CB 3.39Å; P176-C208 HydrophobicContact CB-CB 4.28Å |
| 209 | I | 94.3 | Very high | 96.3 | Very high | 84 Ų | 84 | 53.9 Ų | 53.9 | 43% | 0.431 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.2 | -179.7 | -51.3 | -177.5 | 0 | 0 | 0 | 108 | P176 C177 R179 M207 | P176-I209 CarbonylContact C-O 3.53Å; P176-I209 WeakPolarHBondContact CA-O 3.27Å; P176-I209 WeakPolarHBondContact CB-O 3.47Å; C177-I209 PolarHBondContact N-O 3.21Å; C177-I209 PolarHBondContact O-N 3.25Å; R179-I209 HydrophobicContact CB-CD1 3.88Å; R179-I209 HydrophobicContact CB-CG1 4.38Å; M207-I209 HydrophobicContact CG-CD1 4.13Å; M207-I209 HydrophobicContact CG-CG1 3.82Å; M207-I209 HydrophobicContact SD-CD1 4.4Å; M207-I209 HydrophobicContact SD-CG1 4.26Å |
| 210 | G | 85.6 | Confident | 96.2 | Very high | 107 Ų | 107 | 46.9 Ų | 46.9 | 100% | 1.103 | 33% | 0.331 | S | S | * | . | trans | -106.5 | 0 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 |
Retrieved 210 of 210 residues in 84.2 ms
(Link to these results)