| 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 | 40.9 | Very low | 43 | Very low | 254 Ų | 254 | 159.6 Ų | 159.6 | 100% | 1.251 | 83% | 0.828 | S | S | * | * | 0 | 136.8 | 0 | -84 | 162.5 | 144.2 | 0 | 0 | 108.8 | |||||
| 2 | K | 42.3 | Very low | 43.2 | Very low | 201 Ų | 201 | 158.4 Ų | 158.4 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -92.4 | 168.2 | -166.9 | -93.3 | 175.1 | 171.6 | 171.2 | 0 | 112.7 | ||||
| 3 | C | 38.5 | Very low | 43.8 | Very low | 119 Ų | 119 | 155.7 Ų | 155.7 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | 88.3 | 110.9 | 161.3 | -54.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 4 | R | 41.9 | Very low | 43.8 | Very low | 246 Ų | 246 | 149.7 Ų | 149.7 | 93% | 0.928 | 82% | 0.82 | S | S | * | * | cis | 71.4 | 103.3 | 43.1 | -131.3 | -166.7 | -155.5 | -156.9 | 5.5 | 113.7 | ||||
| 5 | A | 45.6 | Very low | 43.6 | Very low | 78 Ų | 78 | 157 Ų | 157 | 65% | 0.645 | 83% | 0.831 | S | S | * | * | 71.1 | 127.2 | 126 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 6 | M | 41.4 | Very low | 43.5 | Very low | 177 Ų | 177 | 154.6 Ų | 154.6 | 87% | 0.872 | 83% | 0.831 | S | S | * | * | 101.1 | 126.3 | 126 | -74.7 | 167 | 82.7 | 0 | 0 | 121.9 | |||||
| 7 | K | 49 | Very low | 43.9 | Very low | 171 Ų | 171 | 152.5 Ų | 152.5 | 74% | 0.743 | 83% | 0.831 | S | S | * | * | trans | 15.8 | 133.1 | 141.3 | -87.7 | 171.6 | 171.3 | 175 | 0 | 119.3 | Y9 | K7-Y9 WeakPolarHBondContact CE-OH 3.35Š| ||
| 8 | G | 40.1 | Very low | 43.9 | Very low | 75 Ų | 75 | 150.8 Ų | 150.8 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | -165.3 | 129.8 | 157 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 9 | Y | 43.1 | Very low | 43.8 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 71% | 0.706 | 83% | 0.833 | S | S | * | * | trans | -101.6 | 161.5 | -179.8 | -40.1 | -95.9 | 0 | 0 | 0 | 110.3 | K7 | K7-Y9 WeakPolarHBondContact CE-OH 3.35Š| ||
| 10 | S | 45.5 | Very low | 44.2 | Very low | 101 Ų | 101 | 154 Ų | 154 | 71% | 0.706 | 84% | 0.836 | S | S | * | * | trans | 62.5 | 127.3 | 150.3 | 70 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 11 | L | 44.1 | Very low | 44.3 | Very low | 154 Ų | 154 | 151.7 Ų | 151.7 | 81% | 0.806 | 83% | 0.832 | S | S | * | * | 179 | 113.5 | 106.3 | -94.8 | 153.1 | 0 | 0 | 0 | 110 | |||||
| 12 | V | 46.2 | Very low | 44.7 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -88.2 | 115.8 | 160.3 | 154.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 13 | T | 50.6 | Low | 44.9 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -121.2 | 108.4 | 157.6 | 46.7 | 0 | 0 | 0 | 0 | 107.5 | W15 | T13-W15 PolarHBondContact O-N 2.89Š| ||
| 14 | G | 43.4 | Very low | 45.4 | Very low | 72 Ų | 72 | 145.4 Ų | 145.4 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | -74.5 | 111.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 15 | W | 41.9 | Very low | 45.6 | Very low | 259 Ų | 259 | 143.1 Ų | 143.1 | 98% | 0.981 | 81% | 0.808 | S | S | * | * | trans | -114.8 | 113.4 | 155.9 | -90.8 | -3.3 | 0 | 0 | 0 | 107.1 | T13 | T13-W15 PolarHBondContact O-N 2.89Š| ||
| 16 | S | 42 | Very low | 45.5 | Very low | 118 Ų | 118 | 145.7 Ų | 145.7 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -123.5 | 103.1 | 170.5 | 63 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 17 | S | 49.9 | Very low | 46 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | 53.2 | 96.8 | 129.4 | -176.9 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 18 | S | 43.6 | Very low | 45.7 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -159.3 | 80.4 | 135.7 | -170.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 19 | M | 43 | Very low | 45.8 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 84% | 0.837 | 82% | 0.822 | S | S | * | * | trans | -132 | 129.5 | 153.1 | -76.7 | -154.8 | 78.3 | 0 | 0 | 106.1 | ||||
| 20 | Q | 51.8 | Low | 46.1 | Very low | 194 Ų | 194 | 149.4 Ų | 149.4 | 91% | 0.907 | 83% | 0.832 | S | S | * | * | trans | 151.2 | 97.7 | 144.3 | -81.5 | 162.1 | 37.8 | 0 | 0 | 110.7 | ||||
| 21 | S | 45.7 | Very low | 46.5 | Very low | 107 Ų | 107 | 152.7 Ų | 152.7 | 75% | 0.748 | 84% | 0.836 | S | S | * | * | S | Bend | trans | 167.7 | 117.7 | 154.6 | 159.6 | 0 | 0 | 0 | 0 | 107 | ||
| 22 | L | 48.8 | Very low | 46.4 | Very low | 144 Ų | 144 | 155.4 Ų | 155.4 | 75% | 0.754 | 84% | 0.842 | S | S | * | * | cis | -158.8 | 108.7 | 7.9 | -88.5 | 155.2 | 0 | 0 | 0 | 105.4 | L24 | L22-L24 PolarHBondContact O-N 3.38Š| ||
| 23 | V | 47.6 | Very low | 46 | Very low | 144 Ų | 144 | 151.8 Ų | 151.8 | 87% | 0.873 | 83% | 0.833 | S | S | * | * | trans | -90.2 | 87.7 | 161.5 | 174.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 24 | L | 49 | Very low | 45.8 | Very low | 153 Ų | 153 | 157.4 Ų | 157.4 | 80% | 0.801 | 84% | 0.841 | S | S | * | * | trans | -149.8 | 84.4 | 168.6 | -80.3 | -178.1 | 0 | 0 | 0 | 110.3 | L22 | L22-L24 PolarHBondContact O-N 3.38Š| ||
| 25 | Q | 45.4 | Very low | 45.6 | Very low | 199 Ų | 199 | 162.2 Ų | 162.2 | 93% | 0.93 | 85% | 0.849 | S | S | * | * | trans | -155.1 | 52.5 | 151 | -126.9 | 174.3 | -3.3 | 0 | 0 | 111.5 | ||||
| 26 | V | 44.7 | Very low | 45.7 | Very low | 132 Ų | 132 | 157.1 Ų | 157.1 | 80% | 0.8 | 84% | 0.841 | S | S | * | * | trans | -113.9 | 80.1 | 165.9 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 27 | L | 50.3 | Low | 46.5 | Very low | 177 Ų | 177 | 156.7 Ų | 156.7 | 93% | 0.927 | 84% | 0.835 | S | S | * | * | trans | 172 | 80.5 | 160.9 | -105.9 | 142.9 | 0 | 0 | 0 | 110.3 | ||||
| 28 | A | 44.4 | Very low | 46.1 | Very low | 91 Ų | 91 | 161.8 Ų | 161.8 | 75% | 0.752 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -159.4 | 129.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 29 | M | 42.1 | Very low | 46 | Very low | 169 Ų | 169 | 163.4 Ų | 163.4 | 83% | 0.833 | 83% | 0.829 | S | S | * | * | trans | 81.3 | 58.1 | 159.8 | -43.1 | -49.8 | -82.1 | 0 | 0 | 118.1 | ||||
| 30 | R | 48.7 | Very low | 46.3 | Very low | 244 Ų | 244 | 163.8 Ų | 163.8 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | trans | -98.1 | 67.9 | 154.4 | -171.2 | -167.7 | -169.1 | -176 | 4.5 | 109.9 | ||||
| 31 | Q | 54.2 | Low | 46 | Very low | 170 Ų | 170 | 162.2 Ų | 162.2 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | trans | -161.7 | 95.7 | 162.5 | -68.5 | -155.8 | -2.6 | 0 | 0 | 111.5 | ||||
| 32 | F | 42.2 | Very low | 45.8 | Very low | 211 Ų | 211 | 161.8 Ų | 161.8 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -157.7 | 87.9 | 140.4 | -87.5 | -65.2 | 0 | 0 | 0 | 107 | ||||
| 33 | G | 37.3 | Very low | 45.5 | Very low | 68 Ų | 68 | 159.8 Ų | 159.8 | 70% | 0.701 | 84% | 0.839 | S | S | * | * | trans | -70 | 146.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 34 | R | 45.4 | Very low | 44.9 | Very low | 241 Ų | 241 | 156.1 Ų | 156.1 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | 47.7 | 122 | 152.4 | -80.2 | -179.6 | 162.7 | -167.2 | -4.5 | 117.6 | ||||
| 35 | L | 39.8 | Very low | 44.7 | Very low | 174 Ų | 174 | 160.8 Ų | 160.8 | 91% | 0.911 | 84% | 0.838 | S | S | * | * | -167.7 | 157.1 | 116.7 | -92.4 | 173.9 | 0 | 0 | 0 | 110.9 | |||||
| 36 | N | 44.5 | Very low | 44.4 | Very low | 152 Ų | 152 | 154.8 Ų | 154.8 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | trans | -55.9 | 159.5 | -160 | -90.9 | -29.2 | 0 | 0 | 0 | 120.1 | ||||
| 37 | P | 58 | Low | 44.5 | Very low | 109 Ų | 109 | 154.8 Ų | 154.8 | 71% | 0.708 | 83% | 0.833 | S | S | * | * | trans | -91.7 | 127.1 | 162.6 | 35.1 | -25.3 | 0 | 0 | 0 | 110.7 | ||||
| 38 | R | 41.4 | Very low | 44.2 | Very low | 226 Ų | 226 | 158.3 Ų | 158.3 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | -179.6 | 132.4 | 153.5 | -106.6 | 167.2 | -160.8 | -165.1 | 4.3 | 111.8 | ||||
| 39 | H | 42.2 | Very low | 44.1 | Very low | 156 Ų | 156 | 163.7 Ų | 163.7 | 72% | 0.722 | 84% | 0.835 | S | S | * | * | trans | 63.1 | 122.9 | 160.8 | -59.9 | -68.8 | 0 | 0 | 0 | 117.5 | ||||
| 40 | L | 49.7 | Very low | 44.3 | Very low | 179 Ų | 179 | 162.6 Ų | 162.6 | 94% | 0.937 | 84% | 0.838 | S | S | * | * | -156.6 | 124.4 | 112.1 | -91.8 | 179.4 | 0 | 0 | 0 | 110 | |||||
| 41 | L | 44.3 | Very low | 44.1 | Very low | 160 Ų | 160 | 157.6 Ų | 157.6 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | -75.5 | 138.8 | 163.5 | -75.8 | 147.4 | 0 | 0 | 0 | 109 | ||||
| 42 | A | 42.3 | Very low | 43.7 | Very low | 99 Ų | 99 | 161.9 Ų | 161.9 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -164.2 | 105.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 43 | A | 41.7 | Very low | 44.1 | Very low | 102 Ų | 102 | 157 Ų | 157 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | 86.1 | 93.2 | 79.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 44 | G | 35.5 | Very low | 44.8 | Very low | 67 Ų | 67 | 159.9 Ų | 159.9 | 69% | 0.691 | 83% | 0.831 | S | S | * | * | trans | 67.3 | 117 | 136.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 45 | Y | 45.1 | Very low | 44.8 | Very low | 250 Ų | 250 | 159.5 Ų | 159.5 | 98% | 0.98 | 83% | 0.83 | S | S | * | * | -167.4 | 136.4 | 112.9 | -88.1 | -71.8 | 0 | 0 | 0 | 107.9 | |||||
| 46 | G | 38.9 | Very low | 45.5 | Very low | 74 Ų | 74 | 157.1 Ų | 157.1 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -94 | 172.9 | -142.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 47 | P | 46.3 | Very low | 46 | Very low | 131 Ų | 131 | 157.2 Ų | 157.2 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 140.4 | 169.6 | 33.2 | -23.1 | 0 | 0 | 0 | 112.1 | ||
| 48 | R | 44.3 | Very low | 45.8 | Very low | 251 Ų | 251 | 160 Ų | 160 | 95% | 0.947 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 144.1 | 171.8 | -91.3 | -162.8 | 173.1 | -143.1 | 3.1 | 111.7 | ||
| 49 | R | 42.6 | Very low | 46.2 | Very low | 205 Ų | 205 | 154.8 Ų | 154.8 | 77% | 0.774 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 136.6 | 175.4 | -60.4 | 176.5 | 172.6 | -142.2 | 6.3 | 113.7 | E51 | R49-E51 IonicContact CZ-OE1 3.88Å; R49-E51 IonicContact NH1-OE1 2.88Å; R49-E51 PolarHBondContact NH1-OE1 3.19Å |
| 50 | T | 46.8 | Very low | 46.6 | Very low | 146 Ų | 146 | 156.7 Ų | 156.7 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | -142.7 | 131.9 | 122.2 | 43.9 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 51 | E | 44.2 | Very low | 46.7 | Very low | 138 Ų | 138 | 157.1 Ų | 157.1 | 65% | 0.645 | 82% | 0.816 | S | S | * | * | trans | -88 | 130.1 | -164.8 | -64.7 | 155.9 | -178.6 | 0 | 0 | 110.2 | R49 | R49-E51 IonicContact CZ-OE1 3.88Å; R49-E51 IonicContact NH1-OE1 2.88Å; R49-E51 PolarHBondContact NH1-OE1 3.19Å | ||
| 52 | W | 45 | Very low | 46.9 | Very low | 261 Ų | 261 | 154.8 Ų | 154.8 | 99% | 0.989 | 80% | 0.804 | S | S | * | * | trans | -151 | 100.8 | 150.1 | -136 | 26.3 | 0 | 0 | 0 | 110.2 | ||||
| 53 | C | 51.4 | Low | 46.9 | Very low | 109 Ų | 109 | 161.6 Ų | 161.6 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -95.1 | 138 | 176 | -67 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 54 | P | 50.6 | Low | 46.6 | Very low | 128 Ų | 128 | 159.5 Ų | 159.5 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -83.7 | 135.9 | 165.3 | 33.7 | -28.7 | 0 | 0 | 0 | 109.8 | ||||
| 55 | R | 45.7 | Very low | 46.6 | Very low | 233 Ų | 233 | 162.6 Ų | 162.6 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -137.9 | 149.4 | 167.9 | -77.5 | -174.1 | 173.9 | 173.4 | -1.4 | 107.3 | ||||
| 56 | T | 55.2 | Low | 46.5 | Very low | 124 Ų | 124 | 155.3 Ų | 155.3 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | cis | -170.6 | 141.3 | -18.3 | -69.3 | 0 | 0 | 0 | 0 | 102.6 | ||||
| 57 | I | 54.8 | Low | 46.5 | Very low | 154 Ų | 154 | 156.8 Ų | 156.8 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -65.9 | 133.3 | 176.4 | -65 | 159.7 | 0 | 0 | 0 | 109.9 | ||||
| 58 | H | 52.8 | Low | 46.4 | Very low | 166 Ų | 166 | 159.2 Ų | 159.2 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -114.3 | 107.7 | 168.2 | -159.2 | -70.3 | 0 | 0 | 0 | 110.5 | ||||
| 59 | T | 50.3 | Low | 46.2 | Very low | 118 Ų | 118 | 152.7 Ų | 152.7 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | -79 | 136.2 | 163.4 | 47.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 60 | R | 50.7 | Low | 46.3 | Very low | 196 Ų | 196 | 147.4 Ų | 147.4 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | trans | -147.4 | 100.6 | 157 | -162.5 | 175 | -174.7 | -95.5 | 5.8 | 110.3 | L62 | R60-L62 VanDerWaalsContact NH2-CD1 3.29Š| ||
| 61 | Q | 53.1 | Low | 46.2 | Very low | 187 Ų | 187 | 149 Ų | 149 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -89.1 | 139.4 | 156.8 | -68.2 | -160 | -15.8 | 0 | 0 | 108.8 | ||||
| 62 | L | 48.5 | Very low | 45.6 | Very low | 112 Ų | 112 | 146 Ų | 146 | 59% | 0.586 | 79% | 0.786 | S | S | * | * | trans | -149.2 | 113.3 | 153.3 | -82.7 | -179.6 | 0 | 0 | 0 | 109.9 | R60 | R60-L62 VanDerWaalsContact NH2-CD1 3.29Š| ||
| 63 | W | 41.2 | Very low | 45.1 | Very low | 241 Ų | 241 | 137.3 Ų | 137.3 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | trans | 40.1 | 121.7 | 134.6 | -103 | -63.1 | 0 | 0 | 0 | 121.9 | ||||
| 64 | G | 36.1 | Very low | 44.4 | Very low | 58 Ų | 58 | 140.4 Ų | 140.4 | 60% | 0.598 | 78% | 0.78 | S | S | * | * | 111.7 | 121.7 | 93.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 65 | C | 35.4 | Very low | 43.7 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 90% | 0.899 | 78% | 0.784 | S | S | * | * | trans | 66.7 | 144.3 | 147.9 | -57 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 66 | S | 41.8 | Very low | 44.1 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | cis | -168.9 | 139.1 | 23.6 | 44.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 67 | T | 39.9 | Very low | 43.3 | Very low | 105 Ų | 105 | 138 Ų | 138 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | trans | 69.4 | 133.4 | 131.2 | 67.5 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 68 | F | 44.5 | Very low | 42.5 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | 90.9 | 111.1 | 142.1 | -58.7 | -52 | 0 | 0 | 0 | 122.9 | ||||
| 69 | S | 38.9 | Very low | 42.3 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | 75.4 | 130.3 | 117.9 | -57.9 | 0 | 0 | 0 | 0 | 123 | |||||
| 70 | A | 46.3 | Very low | 41.9 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | -72.1 | 146.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 71 | L | 42.9 | Very low | 41.5 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | trans | -175.2 | 143.6 | 136.5 | -141 | 76.7 | 0 | 0 | 0 | 111.8 | ||||
| 72 | G | 33 | Very low | 41.2 | Very low | 75 Ų | 75 | 139.6 Ų | 139.6 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 89.5 | 109.5 | 138.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 73 | G | 34.9 | Very low | 41.1 | Very low | 78 Ų | 78 | 141 Ų | 141 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -85.8 | 176.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 74 | H | 36.6 | Very low | 41.6 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | -168.4 | 141.2 | 125.8 | 80.4 | -75.8 | 0 | 0 | 0 | 109.1 | |||||
| 75 | W | 36 | Very low | 42 | Very low | 244 Ų | 244 | 143.4 Ų | 143.4 | 92% | 0.924 | 80% | 0.803 | S | S | * | * | trans | -90.3 | 159.9 | 159.5 | -87.4 | 24.4 | 0 | 0 | 0 | 107.4 | ||||
| 76 | P | 52.6 | Low | 42.8 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | -154.6 | 173.2 | 51.1 | 38.8 | -15.9 | 0 | 0 | 0 | 117.4 | |||||
| 77 | A | 39.7 | Very low | 43.2 | Very low | 84 Ų | 84 | 151.6 Ų | 151.6 | 69% | 0.694 | 81% | 0.812 | S | S | * | * | 151.8 | 107 | 122.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 78 | L | 37.7 | Very low | 43.5 | Very low | 155 Ų | 155 | 155.9 Ų | 155.9 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | 47.5 | 109.1 | 129.4 | -76.9 | 149 | 0 | 0 | 0 | 118.8 | |||||
| 79 | K | 49.2 | Very low | 43.8 | Very low | 201 Ų | 201 | 157 Ų | 157 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | -176.2 | 130.4 | 93.2 | -94.2 | 169.7 | -171.8 | -178.4 | 0 | 112 | |||||
| 80 | T | 41 | Very low | 44.5 | Very low | 131 Ų | 131 | 156.7 Ų | 156.7 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -77.9 | 168.3 | 173.9 | 37.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 81 | W | 43.3 | Very low | 44.9 | Very low | 244 Ų | 244 | 162.3 Ų | 162.3 | 92% | 0.924 | 83% | 0.831 | S | S | * | * | trans | -48.4 | 158.5 | -163.6 | -55.2 | -42.2 | 0 | 0 | 0 | 120.3 | ||||
| 82 | S | 46.4 | Very low | 44.8 | Very low | 123 Ų | 123 | 163.4 Ų | 163.4 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -138.5 | 141.5 | 134 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 83 | L | 45.7 | Very low | 45.3 | Very low | 141 Ų | 141 | 169.7 Ų | 169.7 | 74% | 0.738 | 84% | 0.835 | S | S | * | * | trans | -75.3 | 146.9 | -175.1 | -84.6 | 129.8 | 0 | 0 | 0 | 113.2 | ||||
| 84 | Q | 52.2 | Low | 45.7 | Very low | 153 Ų | 153 | 170 Ų | 170 | 72% | 0.715 | 83% | 0.83 | S | S | * | * | trans | 53.4 | 122.4 | 140.3 | -68.9 | 175.9 | -9.4 | 0 | 0 | 120.5 | ||||
| 85 | H | 45.1 | Very low | 46.1 | Very low | 196 Ų | 196 | 168 Ų | 168 | 91% | 0.907 | 83% | 0.832 | S | S | * | * | trans | -138.9 | 113.5 | 130.6 | -113.5 | -172.7 | 0 | 0 | 0 | 110.7 | ||||
| 86 | L | 51.3 | Low | 46.2 | Very low | 164 Ų | 164 | 161.5 Ų | 161.5 | 86% | 0.859 | 82% | 0.824 | S | S | * | * | trans | -60.2 | 130.3 | 164.8 | -91.2 | 145.2 | 0 | 0 | 0 | 109.6 | ||||
| 87 | R | 50.8 | Low | 45.9 | Very low | 239 Ų | 239 | 168.4 Ų | 168.4 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -143.5 | 147.8 | 165.4 | -151.9 | 172.1 | -177.9 | 134.1 | -0.5 | 111.9 | ||||
| 88 | F | 46 | Very low | 45.7 | Very low | 195 Ų | 195 | 168.8 Ų | 168.8 | 86% | 0.855 | 84% | 0.84 | S | S | * | * | trans | -66.5 | 152 | -151.9 | -73.8 | -98.6 | 0 | 0 | 0 | 118.6 | ||||
| 89 | K | 49.5 | Very low | 45.6 | Very low | 203 Ų | 203 | 166.5 Ų | 166.5 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | trans | -32.1 | 127.9 | 161.1 | -155 | 169.9 | -171.7 | 173 | 0 | 114.3 | ||||
| 90 | S | 53.8 | Low | 45 | Very low | 110 Ų | 110 | 165.6 Ų | 165.6 | 77% | 0.769 | 84% | 0.842 | S | S | * | * | trans | -142.1 | 129.7 | 152.5 | 66 | 0 | 0 | 0 | 0 | 110.4 | K92 | S90-K92 PolarHBondContact O-N 3.24Š| ||
| 91 | K | 54.4 | Low | 44.9 | Very low | 211 Ų | 211 | 168 Ų | 168 | 92% | 0.917 | 84% | 0.844 | S | S | * | * | trans | -71.5 | 113.3 | 174.3 | -81.1 | 177.5 | 172.9 | -179.6 | 0 | 108 | ||||
| 92 | K | 42.5 | Very low | 44.4 | Very low | 202 Ų | 202 | 165.1 Ų | 165.1 | 88% | 0.878 | 84% | 0.841 | S | S | * | * | trans | -107.7 | 113.3 | 166.7 | -159.3 | 169 | -175.3 | 178.1 | 0 | 109 | S90 A94 | S90-K92 PolarHBondContact O-N 3.24Å; K92-A94 PolarHBondContact O-N 3.07Å | ||
| 93 | K | 43.7 | Very low | 44 | Very low | 207 Ų | 207 | 167.6 Ų | 167.6 | 90% | 0.9 | 84% | 0.839 | S | S | * | * | trans | -64.3 | 122.7 | 178 | -147.2 | 176.6 | -174.7 | -176.7 | 0 | 108.5 | ||||
| 94 | A | 41.4 | Very low | 43.7 | Very low | 86 Ų | 86 | 166.6 Ų | 166.6 | 71% | 0.711 | 83% | 0.834 | S | S | * | * | trans | -95.3 | 138.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | K92 | K92-A94 PolarHBondContact O-N 3.07Š| ||
| 95 | P | 45.2 | Very low | 43 | Very low | 130 Ų | 130 | 165.5 Ų | 165.5 | 84% | 0.844 | 83% | 0.833 | S | S | * | * | trans | -87.5 | 107.2 | 169.6 | 32.1 | -26.4 | 0 | 0 | 0 | 108.8 | ||||
| 96 | S | 38.8 | Very low | 43.2 | Very low | 109 Ų | 109 | 160.6 Ų | 160.6 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | trans | -82.2 | 113.4 | 164.6 | 50.9 | 0 | 0 | 0 | 0 | 108.8 | A98 | S96-A98 PolarHBondContact O-N 3.33Š| ||
| 97 | R | 46 | Very low | 42.7 | Very low | 253 Ų | 253 | 160.9 Ų | 160.9 | 96% | 0.955 | 82% | 0.818 | S | S | * | * | trans | -56.5 | 118.8 | 156.1 | -80.2 | 174.9 | 165.3 | 165.1 | -5.5 | 107.8 | ||||
| 98 | A | 35.8 | Very low | 42.1 | Very low | 92 Ų | 92 | 156.9 Ų | 156.9 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | -138.9 | 142.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | S96 | S96-A98 PolarHBondContact O-N 3.33Š| ||
| 99 | A | 35.3 | Very low | 41.9 | Very low | 107 Ų | 107 | 155.2 Ų | 155.2 | 88% | 0.884 | 81% | 0.809 | S | S | * | * | trans | -54.9 | 140.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 100 | Q | 37.3 | Very low | 41.5 | Very low | 181 Ų | 181 | 151.9 Ų | 151.9 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -80.8 | 123.1 | 169.8 | 179.7 | 177.8 | -31.2 | 0 | 0 | 107.9 | ||||
| 101 | E | 38.5 | Very low | 41 | Very low | 183 Ų | 183 | 154 Ų | 154 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | 159.4 | 70.2 | 147.3 | -86.4 | 173.4 | -148.2 | 0 | 0 | 109.2 | ||||
| 102 | E | 33.5 | Very low | 41.3 | Very low | 182 Ų | 182 | 147.9 Ų | 147.9 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -119 | 100.7 | 156.2 | -71.7 | -80.2 | 173.1 | 0 | 0 | 104.3 | D104 | E102-D104 PolarHBondContact O-N 3.47Š| ||
| 103 | E | 36.8 | Very low | 41.4 | Very low | 175 Ų | 175 | 147.4 Ų | 147.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -78.4 | 70.7 | 168.3 | -155.8 | -174.5 | -168.4 | 0 | 0 | 107.1 | D105 | E103-D105 PolarHBondContact O-N 3.36Š| ||
| 104 | D | 39.3 | Very low | 41.2 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 65% | 0.647 | 79% | 0.787 | S | S | * | * | trans | -88.4 | 81.8 | 165.1 | -174.2 | 23.4 | 0 | 0 | 0 | 107.6 | E102 S106 | E102-D104 PolarHBondContact O-N 3.47Å; D104-S106 PolarHBondContact O-N 2.85Å; D104-S106 VanDerWaalsContact O-N 3.1Å; D104-S106 PolarHBondContact OD1-OG 2.93Å | ||
| 105 | D | 38.4 | Very low | 41.6 | Very low | 130 Ų | 130 | 147 Ų | 147 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | trans | -82.2 | 75.9 | 166.9 | -167.5 | 18.8 | 0 | 0 | 0 | 108.4 | E103 | E103-D105 PolarHBondContact O-N 3.36Š| ||
| 106 | S | 49.2 | Very low | 41.4 | Very low | 93 Ų | 93 | 146.9 Ų | 146.9 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | trans | -102.4 | 73.6 | 166.1 | -69.4 | 0 | 0 | 0 | 0 | 108.1 | D104 | D104-S106 PolarHBondContact O-N 2.85Å; D104-S106 VanDerWaalsContact O-N 3.1Å; D104-S106 PolarHBondContact OD1-OG 2.93Å | ||
| 107 | E | 40.9 | Very low | 41.7 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -113 | 109.3 | 167.9 | -74.6 | -166.8 | 175.6 | 0 | 0 | 112.1 | ||||
| 108 | D | 37.1 | Very low | 41.8 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | 81.9 | 136.7 | 124.9 | -145.3 | 18 | 0 | 0 | 0 | 121.3 | |||||
| 109 | E | 42.4 | Very low | 42.8 | Very low | 161 Ų | 161 | 148.3 Ų | 148.3 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -80.1 | 151.7 | -175.4 | -63.5 | -178.8 | 147.1 | 0 | 0 | 111.7 | ||||
| 110 | N | 42.1 | Very low | 43.6 | Very low | 133 Ų | 133 | 149.2 Ų | 149.2 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | 60.7 | 113.9 | 157.6 | -85.8 | -67.8 | 0 | 0 | 0 | 119.5 | ||||
| 111 | D | 43.5 | Very low | 44.1 | Very low | 153 Ų | 153 | 147 Ų | 147 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | -145.5 | 136 | 112.5 | -156.2 | 25.6 | 0 | 0 | 0 | 109.4 | |||||
| 112 | P | 58.8 | Low | 44.9 | Very low | 84 Ų | 84 | 144.3 Ų | 144.3 | 55% | 0.545 | 74% | 0.742 | S | S | . | * | trans | -93.5 | 168.3 | 178.4 | 31.9 | -17.3 | 0 | 0 | 0 | 111.4 | ||||
| 113 | E | 45.9 | Very low | 45.8 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 90% | 0.897 | 74% | 0.74 | S | S | * | * | trans | 91.1 | 93 | 169 | -48.1 | -157.2 | -179.5 | 0 | 0 | 117.3 | ||||
| 114 | E | 38.8 | Very low | 46.7 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 90% | 0.897 | 72% | 0.718 | S | S | * | * | -152.8 | 109.9 | 117.1 | -160.6 | 165.3 | -164.3 | 0 | 0 | 109 | D116 | E114-D116 PolarHBondContact O-N 3.14Š| |||
| 115 | S | 50.2 | Low | 47.6 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 64% | 0.643 | 71% | 0.709 | S | S | * | * | trans | -75.7 | 104.5 | 173.2 | 56.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 116 | D | 41.3 | Very low | 48.7 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 68% | 0.684 | 71% | 0.713 | S | S | * | * | trans | -103.1 | 111 | 164.4 | -157 | 10.6 | 0 | 0 | 0 | 109.4 | E114 E118 | E114-D116 PolarHBondContact O-N 3.14Å; D116-E118 PolarHBondContact O-N 2.88Å; D116-E118 VanDerWaalsContact O-N 3.14Å | ||
| 117 | Y | 44.8 | Very low | 49.9 | Very low | 208 Ų | 208 | 138.9 Ų | 138.9 | 82% | 0.816 | 71% | 0.712 | S | S | * | * | trans | -74.3 | 94.9 | -176.7 | -74.3 | -102.5 | 0 | 0 | 0 | 109.4 | ||||
| 118 | E | 48.1 | Very low | 51.9 | Low | 106 Ų | 106 | 135.8 Ų | 135.8 | 50% | 0.495 | 69% | 0.694 | S | S | . | * | trans | -112.6 | 115.2 | 159.4 | -82.9 | -172.5 | 170.8 | 0 | 0 | 110.3 | D116 E120 R205 | D116-E118 PolarHBondContact O-N 2.88Å; D116-E118 VanDerWaalsContact O-N 3.14Å; E118-E120 PolarHBondContact O-N 3.15Å; E118-R205 IonicContact OE2-NH1 2.71Å | ||
| 119 | D | 57.7 | Low | 54.5 | Low | 170 Ų | 170 | 134 Ų | 134 | 91% | 0.909 | 68% | 0.678 | S | S | * | * | trans | -36.3 | 100 | 171.6 | -167.2 | 21.1 | 0 | 0 | 0 | 113.6 | ||||
| 120 | E | 50.1 | Low | 56.8 | Low | 126 Ų | 126 | 130 Ų | 130 | 59% | 0.589 | 66% | 0.663 | S | S | * | * | trans | -141 | 141.2 | 172.9 | -73.1 | -170.4 | 178.3 | 0 | 0 | 112.2 | E118 R205 R222 | E118-E120 PolarHBondContact O-N 3.15Å; E120-R205 IonicContact OE1-CZ 3.85Å; E120-R205 IonicContact OE1-NH2 2.65Å; E120-R205 PolarHBondContact OE1-NH2 2.82Å; E120-R205 IonicContact OE2-NH2 2.88Å; E120-R205 PolarHBondContact OE2-NH2 3.39Å; E120-R222 IonicContact OE2-NH1 3.72Å; E120-R222 PolarHBondContact OE2-NH1 3.17Å; E120-R222 VanDerWaalsContact OE2-NH1 3.15Å | ||
| 121 | D | 48.5 | Very low | 59.2 | Low | 134 Ų | 134 | 125.9 Ų | 125.9 | 72% | 0.717 | 64% | 0.64 | S | S | * | * | trans | -38.3 | 135.3 | -157.4 | -70.9 | -56.4 | 0 | 0 | 0 | 118.4 | N123 | D121-N123 PolarHBondContact O-N 2.97Š| ||
| 122 | P | 54.9 | Low | 61.5 | Low | 127 Ų | 127 | 123.8 Ų | 123.8 | 83% | 0.825 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 10.2 | -174.8 | 28.5 | -35.4 | 0 | 0 | 0 | 116 | ||
| 123 | N | 53.4 | Low | 63.2 | Low | 150 Ų | 150 | 122.5 Ų | 122.5 | 80% | 0.802 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 4.5 | -169.4 | -148.5 | 42.4 | 0 | 0 | 0 | 115.1 | D121 | D121-N123 PolarHBondContact O-N 2.97Š|
| 124 | L | 55.9 | Low | 65.4 | Low | 70 Ų | 70 | 119.3 Ų | 119.3 | 37% | 0.366 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -104.9 | 137.2 | 171.1 | -86.7 | 99 | 0 | 0 | 0 | 111.4 | K126 L227 | L124-K126 PolarHBondContact O-N 3.38Å; L124-L227 HydrophobicContact CD2-CD1 3.98Å; L124-L227 HydrophobicContact CD2-CD2 4.42Å |
| 125 | P | 57 | Low | 68 | Low | 71 Ų | 71 | 110.2 Ų | 110.2 | 46% | 0.461 | 55% | 0.549 | S | S | . | . | trans | -52.9 | 126.3 | 170.3 | -25 | 34.1 | 0 | 0 | 0 | 110.8 | D127 | P125-D127 PolarHBondContact O-N 2.99Š| ||
| 126 | K | 62.3 | Low | 70.1 | Confident | 176 Ų | 176 | 109.5 Ų | 109.5 | 77% | 0.765 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -75 | 33.4 | -170.1 | -65.3 | 178.1 | 176.3 | -177.2 | 0 | 113.8 | L124 Y128 | L124-K126 PolarHBondContact O-N 3.38Å; K126-Y128 VanDerWaalsContact C-N 3.28Å; K126-Y128 PolarHBondContact O-N 3.38Å |
| 127 | D | 74.3 | Confident | 72.5 | Confident | 120 Ų | 120 | 105.6 Ų | 105.6 | 64% | 0.642 | 53% | 0.525 | S | S | * | . | trans | -96.7 | 32.2 | -177.1 | -56.4 | -37.4 | 0 | 0 | 0 | 111.9 | P125 | P125-D127 PolarHBondContact O-N 2.99Š| ||
| 128 | Y | 83.7 | Confident | 74.9 | Confident | 104 Ų | 104 | 98.4 Ų | 98.4 | 41% | 0.408 | 50% | 0.498 | S | S | . | . | trans | -86.3 | 143.2 | 174.7 | 66.4 | -94.3 | 0 | 0 | 0 | 111.1 | K126 R222 R223 W224 | K126-Y128 VanDerWaalsContact C-N 3.28Å; K126-Y128 PolarHBondContact O-N 3.38Å; Y128-R222 HydrophobicContact CD2-CG 3.98Å; Y128-R222 VanDerWaalsContact CE2-CZ 3.46Å; Y128-R222 HydrophobicContact CG-CG 4.19Å; Y128-R223 WeakPolarHBondContact CA-O 3.49Å; Y128-W224 VanDerWaalsContact CB-CE2 3.41Å; Y128-W224 HydrophobicContact CD1-CZ2 4.2Å; Y128-W224 HydrophobicContact CG-CZ2 4.13Å | ||
| 129 | K | 90.7 | Very high | 77.1 | Confident | 116 Ų | 116 | 96.8 Ų | 96.8 | 50% | 0.504 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 125.6 | 169.9 | -170.8 | 174.5 | -179.1 | 174.6 | 0 | 109 | M131 R223 | K129-M131 HydrophobicContact CD-CG 4.13Å; K129-M131 HydrophobicContact CD-SD 4.17Å; K129-M131 HydrophobicContact CG-CG 3.91Å; K129-M131 HydrophobicContact CG-SD 4.45Å; K129-R223 PolarHBondContact N-O 3.03Å; K129-R223 PolarHBondContact O-N 2.87Å |
| 130 | D | 90.7 | Very high | 78.9 | Confident | 79 Ų | 79 | 88.7 Ų | 88.7 | 42% | 0.422 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 132.4 | 169.9 | -69.2 | -24.6 | 0 | 0 | 0 | 108.6 | R222 | D130-R222 WeakPolarHBondContact OD1-CA 3.42Å; D130-R222 WeakPolarHBondContact OD1-CB 3.38Å; D130-R222 WeakPolarHBondContact OD1-CD 3.42Å; D130-R222 WeakPolarHBondContact OD1-CG 3.44Å; D130-R222 IonicContact OD1-CZ 3.96Å; D130-R222 IonicContact OD1-NE 2.83Å; D130-R222 PolarHBondContact OD1-NE 3.32Å; D130-R222 IonicContact OD1-NH2 3.59Å; D130-R222 IonicContact OD2-CZ 3.64Å; D130-R222 IonicContact OD2-NE 3.62Å; D130-R222 PolarHBondContact OD2-NE 3.37Å; D130-R222 IonicContact OD2-NH2 2.85Å; D130-R222 PolarHBondContact OD2-NH2 3.03Å |
| 131 | M | 92 | Very high | 81 | Confident | 46 Ų | 46 | 83.9 Ų | 83.9 | 23% | 0.227 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 141.5 | -174.8 | -61.3 | -176.8 | 70.9 | 0 | 0 | 110.1 | K129 I221 | K129-M131 HydrophobicContact CD-CG 4.13Å; K129-M131 HydrophobicContact CD-SD 4.17Å; K129-M131 HydrophobicContact CG-CG 3.91Å; K129-M131 HydrophobicContact CG-SD 4.45Å; M131-I221 PolarHBondContact N-O 3.45Å; M131-I221 PolarHBondContact O-N 3.12Å |
| 132 | E | 93.4 | Very high | 83.2 | Confident | 109 Ų | 109 | 79 Ų | 79 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 130.4 | 170.3 | -58.7 | -174.4 | 159.3 | 0 | 0 | 109.7 | L208 K218 V219 | E132-L208 HydrophobicContact CG-CD1 4.07Å; E132-L208 WeakPolarHBondContact OE1-CD1 3.48Å; E132-K218 WeakPolarHBondContact OE2-CE 3.41Å; E132-K218 IonicContact OE2-NZ 2.79Å; E132-K218 PolarHBondContact OE2-NZ 3.13Å; E132-V219 WeakPolarHBondContact CA-O 3.1Å |
| 133 | K | 93.3 | Very high | 85.1 | Confident | 56 Ų | 56 | 73.2 Ų | 73.2 | 24% | 0.243 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 147.5 | 179.4 | -69 | -68.6 | -163.8 | 167.4 | 0 | 110.8 | A146 D149 V219 I221 | K133-A146 HydrophobicContact CB-CB 4.29Å; K133-A146 WeakPolarHBondContact CE-O 3.43Å; K133-D149 WeakPolarHBondContact CE-OD1 3.32Å; K133-D149 IonicContact NZ-OD1 2.85Å; K133-D149 PolarHBondContact NZ-OD1 2.75Å; K133-V219 PolarHBondContact N-O 3.45Å; K133-V219 PolarHBondContact O-N 2.91Å; K133-I221 HydrophobicContact CB-CD1 4.17Å |
| 134 | Y | 93.2 | Very high | 87.1 | Confident | 125 Ų | 125 | 66 Ų | 66 | 49% | 0.49 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 124.9 | 171.8 | -65.9 | -82.2 | 0 | 0 | 0 | 109.8 | K216 Y217 K218 | Y134-K216 HydrophobicContact CD1-CB 4.43Å; Y134-Y217 CarbonylContact C-O 3.56Å; Y134-Y217 WeakPolarHBondContact CA-O 3.36Å; Y134-K218 HydrophobicContact CD1-CB 3.99Å; Y134-K218 HydrophobicContact CD1-CG 4.21Å; Y134-K218 HydrophobicContact CE1-CB 3.69Å; Y134-K218 HydrophobicContact CE1-CD 4Å; Y134-K218 HydrophobicContact CE1-CG 3.7Å |
| 135 | V | 93.4 | Very high | 89 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127 | -176.3 | -166.1 | 0 | 0 | 0 | 0 | 108.5 | S137 V142 V143 A146 Y217 V219 | V135-S137 VanDerWaalsContact C-N 3.28Å; V135-S137 WeakPolarHBondContact CG1-O 3.46Å; V135-S137 PolarHBondContact O-N 3.1Å; V135-V142 HydrophobicContact CG1-CB 4.3Å; V135-V142 HydrophobicContact CG1-CG1 3.47Å; V135-V142 VanDerWaalsContact CG1-CG1 3.47Å; V135-V143 HydrophobicContact CG1-CG2 4.14Å; V135-A146 HydrophobicContact CG2-CB 3.97Å; V135-Y217 PolarHBondContact N-O 3.02Å; V135-Y217 PolarHBondContact O-N 3.01Å; V135-V219 HydrophobicContact CB-CG2 4.49Å; V135-V219 HydrophobicContact CG2-CB 4.4Å; V135-V219 HydrophobicContact CG2-CG2 4.2Å |
| 136 | P | 93.2 | Very high | 90.7 | Very high | 77 Ų | 77 | 65.7 Ų | 65.7 | 50% | 0.5 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -69.2 | -26 | 179.8 | 26.1 | -34.2 | 0 | 0 | 0 | 112.8 | V142 | P136-V142 HydrophobicContact CG-CG1 3.61Š|
| 137 | S | 93 | Very high | 92.1 | Very high | 47 Ų | 47 | 57.4 Ų | 57.4 | 33% | 0.329 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -157.5 | 154.8 | 175.7 | 62.2 | 0 | 0 | 0 | 0 | 112.2 | V135 R139 | V135-S137 VanDerWaalsContact C-N 3.28Å; V135-S137 WeakPolarHBondContact CG1-O 3.46Å; V135-S137 PolarHBondContact O-N 3.1Å; S137-R139 PolarHBondContact O-N 3.19Å |
| 138 | F | 93.7 | Very high | 93 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 25% | 0.246 | 25% | 0.247 | C | C | . | . | trans | -75 | 33.6 | 176.7 | -63.3 | -75.9 | 0 | 0 | 0 | 114.1 | T177 V178 V207 Y217 V219 | F138-T177 HydrophobicContact CB-CG2 4.24Å; F138-T177 WeakPolarHBondContact O-CA 3.36Å; F138-V178 PolarHBondContact O-N 2.83Å; F138-V207 HydrophobicContact CE1-CG2 3.6Å; F138-V207 HydrophobicContact CZ-CB 4.41Å; F138-V207 HydrophobicContact CZ-CG1 3.92Å; F138-V207 HydrophobicContact CZ-CG2 3.55Å; F138-Y217 HydrophobicContact CE2-CD1 4.1Å; F138-Y217 HydrophobicContact CE2-CD2 4.08Å; F138-Y217 HydrophobicContact CE2-CE1 4.46Å; F138-Y217 HydrophobicContact CE2-CE2 4.47Å; F138-Y217 AromaticContact CE2-CG 3.89Å; F138-Y217 HydrophobicContact CE2-CG 3.89Å; F138-Y217 HydrophobicContact CZ-CD1 4.34Å; F138-Y217 HydrophobicContact CZ-CG 4.04Å; F138-V219 HydrophobicContact CE1-CG2 3.63Å; F138-V219 HydrophobicContact CZ-CG2 4.1Å | ||
| 139 | R | 94.8 | Very high | 93.3 | Very high | 72 Ų | 72 | 51 Ų | 51 | 27% | 0.272 | 25% | 0.25 | S | S | . | . | B | Isolated β-bridge | trans | -84.1 | 139.6 | -179.9 | -161.8 | -178.6 | 138.2 | 142.2 | -7.4 | 109.6 | S137 D141 V142 V143 S175 | S137-R139 PolarHBondContact O-N 3.19Å; R139-D141 WeakPolarHBondContact CD-OD1 3.3Å; R139-D141 WeakPolarHBondContact CG-OD1 3.36Å; R139-D141 IonicContact CZ-OD1 3.77Å; R139-D141 IonicContact CZ-OD2 3.32Å; R139-D141 VanDerWaalsContact NE-CG 3.3Å; R139-D141 IonicContact NE-OD1 2.74Å; R139-D141 PolarHBondContact NE-OD1 2.79Å; R139-D141 IonicContact NE-OD2 3.04Å; R139-D141 PolarHBondContact NE-OD2 2.96Å; R139-D141 IonicContact NH2-OD1 3.94Å; R139-D141 IonicContact NH2-OD2 2.79Å; R139-D141 PolarHBondContact NH2-OD2 2.91Å; R139-D141 PolarHBondContact O-N 3.35Å; R139-V142 HydrophobicContact CB-CB 4.28Å; R139-V142 HydrophobicContact CB-CG2 3.93Å; R139-V142 PolarHBondContact O-N 3.49Å; R139-V143 WeakPolarHBondContact O-CG2 3.19Å; R139-V143 PolarHBondContact O-N 3.07Å; R139-S175 VanDerWaalsContact NE-CB 3.33Å |
| 140 | Y | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -52.1 | -49.2 | -172.9 | -176.6 | -82.4 | 0 | 0 | 0 | 114.2 | V142 L144 L164 R165 L166 L171 K176 V178 L184 D185 | Y140-V142 PolarHBondContact O-N 2.9Å; Y140-L144 HydrophobicContact CE1-CD2 3.86Å; Y140-L144 VanDerWaalsContact O-CB 3.22Å; Y140-L144 WeakPolarHBondContact O-CB 3.38Å; Y140-L144 PolarHBondContact O-N 2.78Å; Y140-L164 HydrophobicContact CE1-CB 4.15Å; Y140-L164 HydrophobicContact CE1-CD1 4.01Å; Y140-L164 HydrophobicContact CE1-CD2 4.24Å; Y140-L164 HydrophobicContact CE1-CG 4.37Å; Y140-R165 PolarHBondContact OH-O 2.86Å; Y140-L166 HydrophobicContact CD2-CB 4.39Å; Y140-L166 HydrophobicContact CD2-CD1 3.77Å; Y140-L166 HydrophobicContact CD2-CG 4.38Å; Y140-L166 HydrophobicContact CE2-CB 3.89Å; Y140-L166 HydrophobicContact CE2-CD1 4.11Å; Y140-L166 HydrophobicContact CE2-CG 4.23Å; Y140-L171 HydrophobicContact CD1-CD2 3.37Å; Y140-L171 HydrophobicContact CD2-CD1 4.22Å; Y140-L171 HydrophobicContact CD2-CD2 4.41Å; Y140-L171 HydrophobicContact CE1-CD2 3.55Å; Y140-L171 HydrophobicContact CE2-CD1 4.45Å; Y140-L171 HydrophobicContact CE2-CD2 4.5Å; Y140-L171 HydrophobicContact CG-CD1 4.24Å; Y140-L171 HydrophobicContact CG-CD2 3.85Å; Y140-K176 WeakPolarHBondContact CB-O 3.41Å; Y140-K176 PolarHBondContact N-O 2.74Å; Y140-V178 HydrophobicContact CD2-CG2 3.91Å; Y140-V178 HydrophobicContact CG-CG2 4.34Å; Y140-L184 HydrophobicContact CD2-CB 4.49Å; Y140-L184 HydrophobicContact CD2-CD2 3.62Å; Y140-L184 HydrophobicContact CD2-CG 3.79Å; Y140-L184 HydrophobicContact CE2-CB 3.73Å; Y140-L184 HydrophobicContact CE2-CD2 3.69Å; Y140-L184 HydrophobicContact CE2-CG 3.48Å; Y140-L184 VanDerWaalsContact CE2-CG 3.48Å; Y140-L184 HydrophobicContact CG-CD2 4.17Å; Y140-D185 PolarHBondContact OH-O 3.48Å |
| 141 | D | 94.3 | Very high | 93.5 | Very high | 25 Ų | 25 | 45.9 Ų | 45.9 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.9 | -40 | 178.6 | 51.9 | -9.6 | 0 | 0 | 0 | 112.7 | R139 K145 I155 | R139-D141 WeakPolarHBondContact CD-OD1 3.3Å; R139-D141 WeakPolarHBondContact CG-OD1 3.36Å; R139-D141 IonicContact CZ-OD1 3.77Å; R139-D141 IonicContact CZ-OD2 3.32Å; R139-D141 VanDerWaalsContact NE-CG 3.3Å; R139-D141 IonicContact NE-OD1 2.74Å; R139-D141 PolarHBondContact NE-OD1 2.79Å; R139-D141 IonicContact NE-OD2 3.04Å; R139-D141 PolarHBondContact NE-OD2 2.96Å; R139-D141 IonicContact NH2-OD1 3.94Å; R139-D141 IonicContact NH2-OD2 2.79Å; R139-D141 PolarHBondContact NH2-OD2 2.91Å; R139-D141 PolarHBondContact O-N 3.35Å; D141-K145 WeakPolarHBondContact O-CB 3.5Å; D141-K145 PolarHBondContact O-N 3.36Å; D141-I155 HydrophobicContact CB-CG2 4.19Å |
| 142 | V | 94.8 | Very high | 93.6 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 20% | 0.2 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.8 | -45.9 | 179.6 | -174.3 | 0 | 0 | 0 | 0 | 111.2 | V135 P136 R139 Y140 K145 A146 | V135-V142 HydrophobicContact CG1-CB 4.3Å; V135-V142 HydrophobicContact CG1-CG1 3.47Å; V135-V142 VanDerWaalsContact CG1-CG1 3.47Å; P136-V142 HydrophobicContact CG-CG1 3.61Å; R139-V142 HydrophobicContact CB-CB 4.28Å; R139-V142 HydrophobicContact CB-CG2 3.93Å; R139-V142 PolarHBondContact O-N 3.49Å; Y140-V142 PolarHBondContact O-N 2.9Å; V142-K145 WeakPolarHBondContact O-CB 3.06Å; V142-K145 PolarHBondContact O-N 2.92Å; V142-A146 PolarHBondContact O-N 3.4Å |
| 143 | V | 95 | Very high | 93.6 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 177.4 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | V135 R139 A146 G147 L184 | V135-V143 HydrophobicContact CG1-CG2 4.14Å; R139-V143 WeakPolarHBondContact O-CG2 3.19Å; R139-V143 PolarHBondContact O-N 3.07Å; V143-A146 PolarHBondContact O-N 3.38Å; V143-G147 PolarHBondContact O-N 3.4Å; V143-L184 HydrophobicContact CB-CD2 4.16Å; V143-L184 HydrophobicContact CG1-CD2 3.95Å |
| 144 | L | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66 | -38.5 | 177.7 | -169 | 69.2 | 0 | 0 | 0 | 112.1 | Y140 G147 L148 I155 L164 L184 V202 | Y140-L144 HydrophobicContact CE1-CD2 3.86Å; Y140-L144 VanDerWaalsContact O-CB 3.22Å; Y140-L144 WeakPolarHBondContact O-CB 3.38Å; Y140-L144 PolarHBondContact O-N 2.78Å; L144-G147 PolarHBondContact O-N 3.14Å; L144-L148 HydrophobicContact CD1-CD1 3.55Å; L144-L148 HydrophobicContact CD1-CG 4.03Å; L144-L148 HydrophobicContact CG-CD1 4.03Å; L144-L148 WeakPolarHBondContact O-CB 3.27Å; L144-L148 PolarHBondContact O-N 2.89Å; L144-I155 HydrophobicContact CD2-CG2 4.25Å; L144-L164 HydrophobicContact CD2-CD2 3.47Å; L144-L164 VanDerWaalsContact CD2-CD2 3.47Å; L144-L184 HydrophobicContact CB-CD2 4.37Å; L144-L184 HydrophobicContact CD1-CB 4.21Å; L144-V202 HydrophobicContact CD1-CB 4.45Å; L144-V202 HydrophobicContact CD1-CG2 4.06Å |
| 145 | K | 95 | Very high | 93.8 | Very high | 116 Ų | 116 | 49.2 Ų | 49.2 | 50% | 0.504 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.5 | -53.1 | 172.6 | -173.6 | -160 | 171.2 | -169.7 | 0 | 110.6 | D141 V142 G147 D149 L150 I155 | D141-K145 WeakPolarHBondContact O-CB 3.5Å; D141-K145 PolarHBondContact O-N 3.36Å; V142-K145 WeakPolarHBondContact O-CB 3.06Å; V142-K145 PolarHBondContact O-N 2.92Å; K145-G147 VanDerWaalsContact C-N 3.35Å; K145-G147 PolarHBondContact O-N 3.47Å; K145-D149 VanDerWaalsContact O-CA 3.27Å; K145-D149 WeakPolarHBondContact O-CA 3.08Å; K145-D149 PolarHBondContact O-N 3.48Å; K145-L150 WeakPolarHBondContact CG-O 3.33Å; K145-I155 HydrophobicContact CB-CD1 3.58Å; K145-I155 HydrophobicContact CG-CD1 4.2Å |
| 146 | A | 93.6 | Very high | 93.8 | Very high | 17 Ų | 17 | 52 Ų | 52 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.6 | -35.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K133 V135 V142 V143 | K133-A146 HydrophobicContact CB-CB 4.29Å; K133-A146 WeakPolarHBondContact CE-O 3.43Å; V135-A146 HydrophobicContact CG2-CB 3.97Å; V142-A146 PolarHBondContact O-N 3.4Å; V143-A146 PolarHBondContact O-N 3.38Å |
| 147 | G | 92.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -77.7 | -37.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V143 L144 K145 R223 | V143-G147 PolarHBondContact O-N 3.4Å; L144-G147 PolarHBondContact O-N 3.14Å; K145-G147 VanDerWaalsContact C-N 3.35Å; K145-G147 PolarHBondContact O-N 3.47Å; G147-R223 WeakPolarHBondContact O-CD 3.46Å; G147-R223 PolarHBondContact O-NE 3.41Å; G147-R223 PolarHBondContact O-NH1 2.86Å |
| 148 | L | 91.7 | Very high | 94 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -98.7 | -6 | -178.7 | -62.7 | -179.2 | 0 | 0 | 0 | 114 | L144 L150 L186 M200 V202 R223 | L144-L148 HydrophobicContact CD1-CD1 3.55Å; L144-L148 HydrophobicContact CD1-CG 4.03Å; L144-L148 HydrophobicContact CG-CD1 4.03Å; L144-L148 WeakPolarHBondContact O-CB 3.27Å; L144-L148 PolarHBondContact O-N 2.89Å; L148-L150 HydrophobicContact CB-CB 4.45Å; L148-L150 HydrophobicContact CB-CD1 3.79Å; L148-L150 HydrophobicContact CB-CG 3.71Å; L148-L150 HydrophobicContact CD1-CD1 3.75Å; L148-L150 HydrophobicContact CG-CD1 4.43Å; L148-L150 PolarHBondContact O-N 2.83Å; L148-L186 HydrophobicContact CD1-CB 4.21Å; L148-L186 HydrophobicContact CD1-CD2 4.02Å; L148-M200 HydrophobicContact CD1-CB 3.78Å; L148-M200 HydrophobicContact CD1-SD 4.11Å; L148-M200 HydrophobicContact CD2-CB 3.78Å; L148-M200 HydrophobicContact CD2-SD 4.3Å; L148-M200 HydrophobicContact CG-CB 4.48Å; L148-V202 HydrophobicContact CD1-CG2 4.32Å; L148-V202 HydrophobicContact CD2-CG2 3.48Å; L148-V202 VanDerWaalsContact CD2-CG2 3.48Å; L148-V202 HydrophobicContact CG-CG2 3.56Å; L148-R223 HydrophobicContact CD2-CG 4.09Å; L148-R223 PolarHBondContact O-NH2 3.17Å |
| 149 | D | 91.4 | Very high | 94.1 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 47% | 0.465 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 41.8 | -171.1 | -50.6 | -61.6 | 0 | 0 | 0 | 111.4 | K133 K145 R223 | K133-D149 WeakPolarHBondContact CE-OD1 3.32Å; K133-D149 IonicContact NZ-OD1 2.85Å; K133-D149 PolarHBondContact NZ-OD1 2.75Å; K145-D149 VanDerWaalsContact O-CA 3.27Å; K145-D149 WeakPolarHBondContact O-CA 3.08Å; K145-D149 PolarHBondContact O-N 3.48Å; D149-R223 IonicContact OD2-CZ 3.41Å; D149-R223 IonicContact OD2-NH1 3.6Å; D149-R223 PolarHBondContact OD2-NH1 2.83Å |
| 150 | L | 91.9 | Very high | 94.1 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 17% | 0.168 | 27% | 0.269 | C | S | . | . | trans | -92.7 | 144.1 | 177.8 | -70.2 | 175.2 | 0 | 0 | 0 | 110.6 | K145 L148 K154 I155 L186 | K145-L150 WeakPolarHBondContact CG-O 3.33Å; L148-L150 HydrophobicContact CB-CB 4.45Å; L148-L150 HydrophobicContact CB-CD1 3.79Å; L148-L150 HydrophobicContact CB-CG 3.71Å; L148-L150 HydrophobicContact CD1-CD1 3.75Å; L148-L150 HydrophobicContact CG-CD1 4.43Å; L148-L150 PolarHBondContact O-N 2.83Å; L150-K154 HydrophobicContact CD2-CD 4.15Å; L150-I155 HydrophobicContact CB-CD1 4.39Å; L150-I155 HydrophobicContact CB-CG1 4.23Å; L150-L186 HydrophobicContact CD1-CD2 3.55Å | ||
| 151 | A | 93.7 | Very high | 94 | Very high | 55 Ų | 55 | 57.8 Ų | 57.8 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | trans | -59.4 | 143 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | N153 K154 I155 | A151-N153 PolarHBondContact O-N 3.41Å; A151-N153 VanDerWaalsContact O-N 3.17Å; A151-K154 WeakPolarHBondContact O-CB 3.48Å; A151-K154 PolarHBondContact O-N 2.79Å; A151-I155 PolarHBondContact O-N 2.81Å | ||
| 152 | R | 92.6 | Very high | 93.9 | Very high | 156 Ų | 156 | 61.2 Ų | 61.2 | 59% | 0.589 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -53.3 | -39.5 | -179.8 | -178.3 | 173.4 | 175.4 | 161.7 | -2.8 | 112.5 | K154 I155 E156 | R152-K154 VanDerWaalsContact C-N 3.33Å; R152-K154 PolarHBondContact O-N 2.86Å; R152-I155 WeakPolarHBondContact O-CB 3.35Å; R152-I155 PolarHBondContact O-N 3.03Å; R152-I155 VanDerWaalsContact O-N 3.12Å; R152-E156 HydrophobicContact CG-CG 4.41Å; R152-E156 IonicContact CZ-OE1 3.79Å; R152-E156 IonicContact NE-OE1 2.96Å; R152-E156 PolarHBondContact NE-OE1 2.88Å; R152-E156 IonicContact NH2-OE1 3.71Å; R152-E156 WeakPolarHBondContact O-CG 3.44Å; R152-E156 PolarHBondContact O-N 2.93Å |
| 153 | N | 95.3 | Very high | 93.8 | Very high | 110 Ų | 110 | 64 Ų | 64 | 59% | 0.588 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.7 | -43 | 179.2 | -58.3 | -7.7 | 0 | 0 | 0 | 111.8 | A151 I155 E156 D157 | A151-N153 PolarHBondContact O-N 3.41Å; A151-N153 VanDerWaalsContact O-N 3.17Å; N153-I155 VanDerWaalsContact C-N 3.27Å; N153-I155 PolarHBondContact O-N 2.84Å; N153-E156 PolarHBondContact O-N 3.4Å; N153-D157 VanDerWaalsContact O-CG 3.24Å; N153-D157 PolarHBondContact O-N 2.81Å |
| 154 | K | 94.3 | Very high | 93.8 | Very high | 132 Ų | 132 | 64 Ų | 64 | 57% | 0.574 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.5 | -34.7 | 178.8 | -66.1 | -176.3 | 177.5 | 178.6 | 0 | 112.1 | L150 A151 R152 A158 | L150-K154 HydrophobicContact CD2-CD 4.15Å; A151-K154 WeakPolarHBondContact O-CB 3.48Å; A151-K154 PolarHBondContact O-N 2.79Å; R152-K154 VanDerWaalsContact C-N 3.33Å; R152-K154 PolarHBondContact O-N 2.86Å; K154-A158 VanDerWaalsContact O-CB 3.24Å; K154-A158 WeakPolarHBondContact O-CB 3.38Å; K154-A158 PolarHBondContact O-N 3.14Å |
| 155 | I | 94.4 | Very high | 93.7 | Very high | 8 Ų | 8 | 65.3 Ų | 65.3 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.5 | -41.4 | 177.4 | -60.5 | 170.2 | 0 | 0 | 0 | 110.3 | D141 L144 K145 L150 A151 R152 N153 A158 F159 L164 | D141-I155 HydrophobicContact CB-CG2 4.19Å; L144-I155 HydrophobicContact CD2-CG2 4.25Å; K145-I155 HydrophobicContact CB-CD1 3.58Å; K145-I155 HydrophobicContact CG-CD1 4.2Å; L150-I155 HydrophobicContact CB-CD1 4.39Å; L150-I155 HydrophobicContact CB-CG1 4.23Å; A151-I155 PolarHBondContact O-N 2.81Å; R152-I155 WeakPolarHBondContact O-CB 3.35Å; R152-I155 PolarHBondContact O-N 3.03Å; R152-I155 VanDerWaalsContact O-N 3.12Å; N153-I155 VanDerWaalsContact C-N 3.27Å; N153-I155 PolarHBondContact O-N 2.84Å; I155-A158 PolarHBondContact O-N 3.38Å; I155-F159 WeakPolarHBondContact O-CB 3.34Å; I155-F159 PolarHBondContact O-N 3.43Å; I155-L164 HydrophobicContact CG2-CD1 4.27Å |
| 156 | E | 94.9 | Very high | 93.7 | Very high | 60 Ų | 60 | 60 Ų | 60 | 28% | 0.28 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 176.5 | -68.6 | -177.1 | -178 | 0 | 0 | 111.1 | R152 N153 A158 F159 Y160 | R152-E156 HydrophobicContact CG-CG 4.41Å; R152-E156 IonicContact CZ-OE1 3.79Å; R152-E156 IonicContact NE-OE1 2.96Å; R152-E156 PolarHBondContact NE-OE1 2.88Å; R152-E156 IonicContact NH2-OE1 3.71Å; R152-E156 WeakPolarHBondContact O-CG 3.44Å; R152-E156 PolarHBondContact O-N 2.93Å; N153-E156 PolarHBondContact O-N 3.4Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A158 PolarHBondContact O-N 2.75Å; E156-F159 WeakPolarHBondContact O-CB 3.39Å; E156-F159 PolarHBondContact O-N 2.92Å; E156-F159 VanDerWaalsContact O-N 3.13Å; E156-Y160 HydrophobicContact CB-CE2 4.47Å; E156-Y160 WeakPolarHBondContact O-CD2 3.35Å; E156-Y160 PolarHBondContact O-N 2.95Å |
| 157 | D | 95.3 | Very high | 93.6 | Very high | 107 Ų | 107 | 61.4 Ų | 61.4 | 57% | 0.572 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.4 | -41 | 174.4 | -66.3 | -23.3 | 0 | 0 | 0 | 111.9 | N153 F159 Y160 S161 | N153-D157 VanDerWaalsContact O-CG 3.24Å; N153-D157 PolarHBondContact O-N 2.81Å; D157-F159 VanDerWaalsContact C-N 3.3Å; D157-F159 PolarHBondContact O-N 2.93Å; D157-Y160 PolarHBondContact O-N 2.79Å; D157-S161 WeakPolarHBondContact O-CB 2.84Å; D157-S161 PolarHBondContact O-N 2.84Å; D157-S161 PolarHBondContact O-OG 2.86Å |
| 158 | A | 94.9 | Very high | 93.5 | Very high | 8 Ų | 8 | 61.5 Ų | 61.5 | 7% | 0.066 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64 | -35.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | K154 I155 E156 S161 N162 K163 L164 L186 | K154-A158 VanDerWaalsContact O-CB 3.24Å; K154-A158 WeakPolarHBondContact O-CB 3.38Å; K154-A158 PolarHBondContact O-N 3.14Å; I155-A158 PolarHBondContact O-N 3.38Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A158 PolarHBondContact O-N 2.75Å; A158-S161 VanDerWaalsContact CA-OG 3.29Å; A158-S161 WeakPolarHBondContact CA-OG 3.35Å; A158-S161 PolarHBondContact O-OG 2.84Å; A158-N162 PolarHBondContact O-N 2.89Å; A158-K163 HydrophobicContact CB-CB 4.38Å; A158-K163 PolarHBondContact O-N 2.86Å; A158-L164 HydrophobicContact CB-CD2 3.97Å; A158-L164 HydrophobicContact CB-CG 4.04Å; A158-L186 HydrophobicContact CB-CD1 3.46Å; A158-L186 VanDerWaalsContact CB-CD1 3.46Å |
| 159 | F | 95 | Very high | 93.5 | Very high | 41 Ų | 41 | 66.3 Ų | 66.3 | 18% | 0.18 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.2 | -50.8 | 175.2 | 178.1 | -105.2 | 0 | 0 | 0 | 111 | I155 E156 D157 S161 N162 L164 L171 I172 K174 | I155-F159 WeakPolarHBondContact O-CB 3.34Å; I155-F159 PolarHBondContact O-N 3.43Å; E156-F159 WeakPolarHBondContact O-CB 3.39Å; E156-F159 PolarHBondContact O-N 2.92Å; E156-F159 VanDerWaalsContact O-N 3.13Å; D157-F159 VanDerWaalsContact C-N 3.3Å; D157-F159 PolarHBondContact O-N 2.93Å; F159-S161 VanDerWaalsContact C-N 3.25Å; F159-S161 PolarHBondContact O-N 2.82Å; F159-N162 PolarHBondContact O-N 3.45Å; F159-L164 HydrophobicContact CB-CD1 3.7Å; F159-L164 HydrophobicContact CD2-CD1 4.23Å; F159-L164 HydrophobicContact CG-CD1 4.47Å; F159-L171 HydrophobicContact CD2-CD2 4.1Å; F159-L171 HydrophobicContact CE2-CD2 4.3Å; F159-L171 HydrophobicContact CE2-CG 4.38Å; F159-I172 WeakPolarHBondContact CZ-O 3.14Å; F159-K174 HydrophobicContact CD2-CB 4.29Å; F159-K174 HydrophobicContact CE2-CB 4.21Å; F159-K174 HydrophobicContact CZ-CB 4.39Å |
| 160 | Y | 94.3 | Very high | 93.5 | Very high | 161 Ų | 161 | 68.5 Ų | 68.5 | 63% | 0.631 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.7 | -28.9 | 179 | -67.7 | -63.1 | 0 | 0 | 0 | 113 | E156 D157 N162 | E156-Y160 HydrophobicContact CB-CE2 4.47Å; E156-Y160 WeakPolarHBondContact O-CD2 3.35Å; E156-Y160 PolarHBondContact O-N 2.95Å; D157-Y160 PolarHBondContact O-N 2.79Å; Y160-N162 VanDerWaalsContact C-N 3.27Å; Y160-N162 PolarHBondContact O-N 2.81Å |
| 161 | S | 93.5 | Very high | 93.6 | Very high | 56 Ų | 56 | 67.5 Ų | 67.5 | 39% | 0.392 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 5.8 | 173.4 | 57.4 | 0 | 0 | 0 | 0 | 114.4 | D157 A158 F159 K163 | D157-S161 WeakPolarHBondContact O-CB 2.84Å; D157-S161 PolarHBondContact O-N 2.84Å; D157-S161 PolarHBondContact O-OG 2.86Å; A158-S161 VanDerWaalsContact CA-OG 3.29Å; A158-S161 WeakPolarHBondContact CA-OG 3.35Å; A158-S161 PolarHBondContact O-OG 2.84Å; F159-S161 VanDerWaalsContact C-N 3.25Å; F159-S161 PolarHBondContact O-N 2.82Å; S161-K163 PolarHBondContact O-N 3.25Å; S161-K163 WeakPolarHBondContact OG-CD 3.38Å; S161-K163 WeakPolarHBondContact OG-CG 3.46Å |
| 162 | N | 92.8 | Very high | 93.5 | Very high | 98 Ų | 98 | 72.5 Ų | 72.5 | 52% | 0.524 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 28.7 | 179.5 | -60.4 | -63.3 | 0 | 0 | 0 | 114.7 | A158 F159 Y160 | A158-N162 PolarHBondContact O-N 2.89Å; F159-N162 PolarHBondContact O-N 3.45Å; Y160-N162 VanDerWaalsContact C-N 3.27Å; Y160-N162 PolarHBondContact O-N 2.81Å |
| 163 | K | 93.4 | Very high | 93.6 | Very high | 90 Ų | 90 | 71.5 Ų | 71.5 | 39% | 0.391 | 34% | 0.343 | S | S | . | . | trans | -87.1 | -12.7 | -179.9 | -65.9 | -179.3 | -178.1 | -172.8 | 0 | 113.4 | A158 S161 L186 V187 | A158-K163 HydrophobicContact CB-CB 4.38Å; A158-K163 PolarHBondContact O-N 2.86Å; S161-K163 PolarHBondContact O-N 3.25Å; S161-K163 WeakPolarHBondContact OG-CD 3.38Å; S161-K163 WeakPolarHBondContact OG-CG 3.46Å; K163-L186 HydrophobicContact CB-CD1 4.26Å; K163-V187 HydrophobicContact CB-CB 4.21Å; K163-V187 WeakPolarHBondContact O-CG2 2.89Å; K163-V187 PolarHBondContact O-N 2.97Å | ||
| 164 | L | 94.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 130.9 | 178.8 | -61.9 | 179.4 | 0 | 0 | 0 | 111.5 | Y140 L144 I155 A158 F159 L171 L186 | Y140-L164 HydrophobicContact CE1-CB 4.15Å; Y140-L164 HydrophobicContact CE1-CD1 4.01Å; Y140-L164 HydrophobicContact CE1-CD2 4.24Å; Y140-L164 HydrophobicContact CE1-CG 4.37Å; L144-L164 HydrophobicContact CD2-CD2 3.47Å; L144-L164 VanDerWaalsContact CD2-CD2 3.47Å; I155-L164 HydrophobicContact CG2-CD1 4.27Å; A158-L164 HydrophobicContact CB-CD2 3.97Å; A158-L164 HydrophobicContact CB-CG 4.04Å; F159-L164 HydrophobicContact CB-CD1 3.7Å; F159-L164 HydrophobicContact CD2-CD1 4.23Å; F159-L164 HydrophobicContact CG-CD1 4.47Å; L164-L171 HydrophobicContact CB-CB 4.13Å; L164-L171 HydrophobicContact CB-CD2 4.16Å; L164-L171 HydrophobicContact CD1-CD2 4.14Å; L164-L171 PolarHBondContact O-N 3.37Å; L164-L186 HydrophobicContact CD2-CB 4.28Å; L164-L186 HydrophobicContact CD2-CD1 3.62Å |
| 165 | R | 93.4 | Very high | 93.3 | Very high | 28 Ų | 28 | 65.6 Ų | 65.6 | 11% | 0.106 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 137.4 | 178.9 | -53.2 | -63.9 | 173.4 | 118.9 | 7.2 | 111 | Y140 Q169 D185 V187 F235 | Y140-R165 PolarHBondContact OH-O 2.86Å; R165-Q169 CarbonylContact C-O 3.55Å; R165-Q169 WeakPolarHBondContact CA-O 3.48Å; R165-D185 HydrophobicContact CB-CB 4.16Å; R165-D185 PolarHBondContact N-O 3.49Å; R165-D185 PolarHBondContact O-N 2.89Å; R165-V187 HydrophobicContact CG-CG2 4.3Å; R165-F235 HydrophobicContact CG-CE1 4.36Å |
| 166 | L | 94.1 | Very high | 93.3 | Very high | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 120.7 | 174 | -175.3 | 160 | 0 | 0 | 0 | 107.9 | Y140 G168 Q169 L171 K176 T183 | Y140-L166 HydrophobicContact CD2-CB 4.39Å; Y140-L166 HydrophobicContact CD2-CD1 3.77Å; Y140-L166 HydrophobicContact CD2-CG 4.38Å; Y140-L166 HydrophobicContact CE2-CB 3.89Å; Y140-L166 HydrophobicContact CE2-CD1 4.11Å; Y140-L166 HydrophobicContact CE2-CG 4.23Å; L166-G168 PolarHBondContact O-N 2.77Å; L166-G168 VanDerWaalsContact O-N 3.14Å; L166-Q169 PolarHBondContact N-O 2.83Å; L166-Q169 WeakPolarHBondContact O-CB 3.18Å; L166-Q169 PolarHBondContact O-N 2.93Å; L166-L171 HydrophobicContact CB-CD1 4.26Å; L166-L171 HydrophobicContact CD1-CD1 4.26Å; L166-K176 HydrophobicContact CD1-CD 3.81Å; L166-K176 HydrophobicContact CD1-CG 4.19Å; L166-T183 WeakPolarHBondContact CA-O 3.45Å |
| 167 | N | 92.4 | Very high | 93.3 | Very high | 46 Ų | 46 | 71.4 Ų | 71.4 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 31.9 | -176.4 | -60.5 | -23.8 | 0 | 0 | 0 | 113 | Q169 D182 T183 K236 | N167-Q169 VanDerWaalsContact C-N 3.31Å; N167-Q169 PolarHBondContact O-N 2.83Å; N167-D182 PolarHBondContact ND2-OD1 2.84Å; N167-T183 VanDerWaalsContact CA-OG1 3.3Å; N167-T183 WeakPolarHBondContact CA-OG1 3.12Å; N167-T183 PolarHBondContact N-O 3.49Å; N167-T183 PolarHBondContact OD1-N 2.86Å; N167-T183 PolarHBondContact OD1-OG1 2.93Å; N167-K236 WeakPolarHBondContact O-CD 3.48Å |
| 168 | G | 89.4 | Confident | 93.3 | Very high | 3 Ų | 3 | 66.6 Ų | 66.6 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | -9.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L166 K236 | L166-G168 PolarHBondContact O-N 2.77Å; L166-G168 VanDerWaalsContact O-N 3.14Å; G168-K236 PolarHBondContact O-N 2.88Å |
| 169 | Q | 92 | Very high | 93.3 | Very high | 105 Ų | 105 | 73.7 Ų | 73.7 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 150.7 | 179.2 | -64.5 | 179.3 | -8.2 | 0 | 0 | 112.1 | R165 L166 N167 L171 | R165-Q169 CarbonylContact C-O 3.55Å; R165-Q169 WeakPolarHBondContact CA-O 3.48Å; L166-Q169 PolarHBondContact N-O 2.83Å; L166-Q169 WeakPolarHBondContact O-CB 3.18Å; L166-Q169 PolarHBondContact O-N 2.93Å; N167-Q169 VanDerWaalsContact C-N 3.31Å; N167-Q169 PolarHBondContact O-N 2.83Å; Q169-L171 PolarHBondContact O-N 2.84Å |
| 170 | K | 92.6 | Very high | 93.2 | Very high | 132 Ų | 132 | 75.3 Ų | 75.3 | 57% | 0.574 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 131.6 | 174.6 | -70.6 | -178.8 | -179.3 | 176.5 | 0 | 111.2 | I172 | K170-I172 PolarHBondContact O-N 2.93Å |
| 171 | L | 93.1 | Very high | 93.1 | Very high | 11 Ų | 11 | 70 Ų | 70 | 6% | 0.058 | 36% | 0.361 | C | S | . | . | trans | -77 | 110.5 | 175.8 | -170.2 | 72 | 0 | 0 | 0 | 110.5 | Y140 F159 L164 L166 Q169 K173 K176 | Y140-L171 HydrophobicContact CD1-CD2 3.37Å; Y140-L171 HydrophobicContact CD2-CD1 4.22Å; Y140-L171 HydrophobicContact CD2-CD2 4.41Å; Y140-L171 HydrophobicContact CE1-CD2 3.55Å; Y140-L171 HydrophobicContact CE2-CD1 4.45Å; Y140-L171 HydrophobicContact CE2-CD2 4.5Å; Y140-L171 HydrophobicContact CG-CD1 4.24Å; Y140-L171 HydrophobicContact CG-CD2 3.85Å; F159-L171 HydrophobicContact CD2-CD2 4.1Å; F159-L171 HydrophobicContact CE2-CD2 4.3Å; F159-L171 HydrophobicContact CE2-CG 4.38Å; L164-L171 HydrophobicContact CB-CB 4.13Å; L164-L171 HydrophobicContact CB-CD2 4.16Å; L164-L171 HydrophobicContact CD1-CD2 4.14Å; L164-L171 PolarHBondContact O-N 3.37Å; L166-L171 HydrophobicContact CB-CD1 4.26Å; L166-L171 HydrophobicContact CD1-CD1 4.26Å; Q169-L171 PolarHBondContact O-N 2.84Å; L171-K173 WeakPolarHBondContact CD1-O 3.45Å; L171-K176 HydrophobicContact CD1-CB 4.23Å; L171-K176 HydrophobicContact CD1-CD 4.43Å | ||
| 172 | I | 91.3 | Very high | 93.1 | Very high | 160 Ų | 160 | 68.8 Ų | 68.8 | 82% | 0.821 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -79.9 | -36 | 177.4 | -58.2 | 167.4 | 0 | 0 | 0 | 111.3 | F159 K170 | F159-I172 WeakPolarHBondContact CZ-O 3.14Å; K170-I172 PolarHBondContact O-N 2.93Å |
| 173 | K | 93.9 | Very high | 93.2 | Very high | 136 Ų | 136 | 65.6 Ų | 65.6 | 59% | 0.591 | 33% | 0.334 | S | S | * | . | trans | -128.8 | 121 | -173.8 | -172.9 | 174.4 | -178.4 | -179.7 | 0 | 110.2 | L171 S175 K176 | L171-K173 WeakPolarHBondContact CD1-O 3.45Å; K173-S175 WeakPolarHBondContact CE-OG 3.41Å; K173-S175 PolarHBondContact O-N 3.32Å; K173-K176 PolarHBondContact O-N 2.71Å | ||
| 174 | K | 92.1 | Very high | 93.2 | Very high | 81 Ų | 81 | 61.3 Ų | 61.3 | 35% | 0.352 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -32 | 177.4 | 61.2 | 176.2 | 178.9 | -175 | 0 | 114.3 | F159 K176 | F159-K174 HydrophobicContact CD2-CB 4.29Å; F159-K174 HydrophobicContact CE2-CB 4.21Å; F159-K174 HydrophobicContact CZ-CB 4.39Å; K174-K176 VanDerWaalsContact C-N 3.3Å; K174-K176 PolarHBondContact O-N 3.37Å |
| 175 | S | 92.6 | Very high | 93.2 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 25% | 0.252 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 25 | -174.4 | 81.9 | 0 | 0 | 0 | 0 | 113.9 | R139 K173 T177 | R139-S175 VanDerWaalsContact NE-CB 3.33Å; K173-S175 WeakPolarHBondContact CE-OG 3.41Å; K173-S175 PolarHBondContact O-N 3.32Å; S175-T177 PolarHBondContact O-N 2.83Å |
| 176 | K | 95.1 | Very high | 93.2 | Very high | 88 Ų | 88 | 60.8 Ų | 60.8 | 38% | 0.383 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 132 | 174.2 | -174.3 | 164 | 167.8 | -172 | 0 | 108.7 | Y140 L166 L171 K173 K174 | Y140-K176 WeakPolarHBondContact CB-O 3.41Å; Y140-K176 PolarHBondContact N-O 2.74Å; L166-K176 HydrophobicContact CD1-CD 3.81Å; L166-K176 HydrophobicContact CD1-CG 4.19Å; L171-K176 HydrophobicContact CD1-CB 4.23Å; L171-K176 HydrophobicContact CD1-CD 4.43Å; K173-K176 PolarHBondContact O-N 2.71Å; K174-K176 VanDerWaalsContact C-N 3.3Å; K174-K176 PolarHBondContact O-N 3.37Å |
| 177 | T | 95 | Very high | 93.2 | Very high | 103 Ų | 103 | 60.8 Ų | 60.8 | 63% | 0.632 | 32% | 0.315 | S | S | * | . | B | Isolated β-bridge | trans | -72.3 | 132.6 | 174.3 | -48.6 | 0 | 0 | 0 | 0 | 109 | F138 S175 | F138-T177 HydrophobicContact CB-CG2 4.24Å; F138-T177 WeakPolarHBondContact O-CA 3.36Å; S175-T177 PolarHBondContact O-N 2.83Å |
| 178 | V | 94.6 | Very high | 93.1 | Very high | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -99.2 | 141.3 | -179.8 | 174.9 | 0 | 0 | 0 | 0 | 108.5 | F138 Y140 D182 L184 P204 | F138-V178 PolarHBondContact O-N 2.83Å; Y140-V178 HydrophobicContact CD2-CG2 3.91Å; Y140-V178 HydrophobicContact CG-CG2 4.34Å; V178-D182 HydrophobicContact CG1-CB 3.92Å; V178-L184 HydrophobicContact CG1-CD1 3.78Å; V178-L184 HydrophobicContact CG1-CG 4.49Å; V178-L184 HydrophobicContact CG2-CD2 4.13Å; V178-P204 HydrophobicContact CG1-CG 3.88Å |
| 179 | K | 94.2 | Very high | 93 | Very high | 157 Ų | 157 | 64.1 Ų | 64.1 | 68% | 0.683 | 34% | 0.338 | S | S | * | . | trans | -104.1 | 159.4 | 172.4 | -63.9 | -176.6 | -179.9 | -176.9 | 0 | 110.3 | G181 D182 P204 | K179-G181 PolarHBondContact O-N 3.21Å; K179-D182 PolarHBondContact N-OD2 3.26Å; K179-D182 WeakPolarHBondContact O-CB 3.36Å; K179-D182 PolarHBondContact O-N 2.84Å; K179-D182 VanDerWaalsContact O-N 3.14Å; K179-P204 WeakPolarHBondContact O-CG 3.39Å | ||
| 180 | V | 93.1 | Very high | 92.8 | Very high | 76 Ų | 76 | 63.8 Ų | 63.8 | 46% | 0.461 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 130.9 | 168.8 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | R205 V207 | V180-R205 VanDerWaalsContact CG1-C 3.43Å; V180-R205 WeakPolarHBondContact CG1-O 3.27Å; V180-V207 HydrophobicContact CG2-CG2 3.88Å |
| 181 | G | 92.2 | Very high | 92.6 | Very high | 49 Ų | 49 | 60.7 Ų | 60.7 | 51% | 0.505 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -5.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K179 P204 | K179-G181 PolarHBondContact O-N 3.21Å; G181-P204 PolarHBondContact N-O 2.82Å |
| 182 | D | 94.2 | Very high | 92 | Very high | 30 Ų | 30 | 68.3 Ų | 68.3 | 16% | 0.16 | 36% | 0.359 | C | S | . | . | trans | -68.7 | 144.1 | 172.4 | -79.3 | -28.8 | 0 | 0 | 0 | 111 | N167 V178 K179 L184 P204 | N167-D182 PolarHBondContact ND2-OD1 2.84Å; V178-D182 HydrophobicContact CG1-CB 3.92Å; K179-D182 PolarHBondContact N-OD2 3.26Å; K179-D182 WeakPolarHBondContact O-CB 3.36Å; K179-D182 PolarHBondContact O-N 2.84Å; K179-D182 VanDerWaalsContact O-N 3.14Å; D182-L184 HydrophobicContact CB-CD1 4.47Å; D182-P204 WeakPolarHBondContact O-CD 3.38Å | ||
| 183 | T | 93.4 | Very high | 91.3 | Very high | 32 Ų | 32 | 70 Ų | 70 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | trans | -96.7 | 118.6 | 174 | 73.8 | 0 | 0 | 0 | 0 | 110.4 | L166 N167 I203 | L166-T183 WeakPolarHBondContact CA-O 3.45Å; N167-T183 VanDerWaalsContact CA-OG1 3.3Å; N167-T183 WeakPolarHBondContact CA-OG1 3.12Å; N167-T183 PolarHBondContact N-O 3.49Å; N167-T183 PolarHBondContact OD1-N 2.86Å; N167-T183 PolarHBondContact OD1-OG1 2.93Å; T183-I203 HydrophobicContact CG2-CD1 4.05Å; T183-I203 HydrophobicContact CG2-CG1 4.14Å | ||
| 184 | L | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 117.5 | 175.2 | -59.9 | 75.6 | 0 | 0 | 0 | 108.1 | Y140 V143 L144 V178 D182 R201 V202 P204 | Y140-L184 HydrophobicContact CD2-CB 4.49Å; Y140-L184 HydrophobicContact CD2-CD2 3.62Å; Y140-L184 HydrophobicContact CD2-CG 3.79Å; Y140-L184 HydrophobicContact CE2-CB 3.73Å; Y140-L184 HydrophobicContact CE2-CD2 3.69Å; Y140-L184 HydrophobicContact CE2-CG 3.48Å; Y140-L184 VanDerWaalsContact CE2-CG 3.48Å; Y140-L184 HydrophobicContact CG-CD2 4.17Å; V143-L184 HydrophobicContact CB-CD2 4.16Å; V143-L184 HydrophobicContact CG1-CD2 3.95Å; L144-L184 HydrophobicContact CB-CD2 4.37Å; L144-L184 HydrophobicContact CD1-CB 4.21Å; V178-L184 HydrophobicContact CG1-CD1 3.78Å; V178-L184 HydrophobicContact CG1-CG 4.49Å; V178-L184 HydrophobicContact CG2-CD2 4.13Å; D182-L184 HydrophobicContact CB-CD1 4.47Å; L184-R201 CarbonylContact O-C 3.47Å; L184-R201 WeakPolarHBondContact O-CA 3.44Å; L184-V202 HydrophobicContact CB-CB 4.28Å; L184-V202 WeakPolarHBondContact CD1-O 3.43Å; L184-V202 PolarHBondContact N-O 3.41Å; L184-V202 PolarHBondContact O-N 2.65Å; L184-P204 HydrophobicContact CD1-CG 4.41Å |
| 185 | D | 93.4 | Very high | 90 | Very high | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.011 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 138.2 | -176.6 | -66.1 | -24.5 | 0 | 0 | 0 | 110.5 | Y140 R165 M200 R201 | Y140-D185 PolarHBondContact OH-O 3.48Å; R165-D185 HydrophobicContact CB-CB 4.16Å; R165-D185 PolarHBondContact N-O 3.49Å; R165-D185 PolarHBondContact O-N 2.89Å; D185-M200 CarbonylContact C-O 3.56Å; D185-M200 WeakPolarHBondContact CA-O 3.15Å; D185-R201 VanDerWaalsContact OD1-CB 3.27Å; D185-R201 WeakPolarHBondContact OD1-CB 3.22Å; D185-R201 WeakPolarHBondContact OD1-CG 3.47Å; D185-R201 IonicContact OD1-CZ 3.48Å; D185-R201 IonicContact OD1-NE 3.15Å; D185-R201 PolarHBondContact OD1-NE 2.97Å; D185-R201 IonicContact OD1-NH2 3.6Å; D185-R201 IonicContact OD2-CZ 2.82Å; D185-R201 IonicContact OD2-NE 3.74Å; D185-R201 PolarHBondContact OD2-NE 2.87Å; D185-R201 IonicContact OD2-NH2 2.75Å; D185-R201 PolarHBondContact OD2-NH2 3.29Å |
| 186 | L | 93.9 | Very high | 89.7 | Confident | 19 Ų | 19 | 67.4 Ų | 67.4 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 116.9 | 168.7 | 170.3 | 66 | 0 | 0 | 0 | 108.4 | L148 L150 A158 K163 L164 V188 L199 M200 | L148-L186 HydrophobicContact CD1-CB 4.21Å; L148-L186 HydrophobicContact CD1-CD2 4.02Å; L150-L186 HydrophobicContact CD1-CD2 3.55Å; A158-L186 HydrophobicContact CB-CD1 3.46Å; A158-L186 VanDerWaalsContact CB-CD1 3.46Å; K163-L186 HydrophobicContact CB-CD1 4.26Å; L164-L186 HydrophobicContact CD2-CB 4.28Å; L164-L186 HydrophobicContact CD2-CD1 3.62Å; L186-V188 PolarHBondContact O-N 2.87Å; L186-L199 CarbonylContact O-C 3.57Å; L186-L199 WeakPolarHBondContact O-CA 3.29Å; L186-M200 HydrophobicContact CB-CB 4.3Å; L186-M200 HydrophobicContact CD2-SD 4.24Å; L186-M200 PolarHBondContact N-O 3.47Å; L186-M200 PolarHBondContact O-N 2.92Å |
| 187 | V | 93.2 | Very high | 89.4 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.03 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 116.7 | 175 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | K163 R165 E190 V197 L199 F235 | K163-V187 HydrophobicContact CB-CB 4.21Å; K163-V187 WeakPolarHBondContact O-CG2 2.89Å; K163-V187 PolarHBondContact O-N 2.97Å; R165-V187 HydrophobicContact CG-CG2 4.3Å; V187-E190 HydrophobicContact CG1-CG 3.73Å; V187-V197 HydrophobicContact CG1-CG1 3.76Å; V187-V197 HydrophobicContact CG2-CG1 4.47Å; V187-L199 HydrophobicContact CB-CD2 4.47Å; V187-L199 HydrophobicContact CG2-CD2 3.81Å; V187-F235 HydrophobicContact CG2-CE1 4.02Å; V187-F235 HydrophobicContact CG2-CZ 4.28Å |
| 188 | V | 91.2 | Very high | 89.2 | Confident | 71 Ų | 71 | 59.2 Ų | 59.2 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -53 | 177.4 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | L186 T198 M200 | L186-V188 PolarHBondContact O-N 2.87Å; V188-T198 PolarHBondContact N-O 2.94Å; V188-M200 HydrophobicContact CG2-CE 4.09Å; V188-M200 HydrophobicContact CG2-CG 3.64Å; V188-M200 HydrophobicContact CG2-SD 4.33Å |
| 189 | S | 87.2 | Confident | 89.1 | Confident | 49 Ų | 49 | 59 Ų | 59 | 34% | 0.343 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 141.9 | -176.7 | 45.5 | 0 | 0 | 0 | 0 | 111.2 | T198 | S189-T198 PolarHBondContact N-O 2.85Å; S189-T198 PolarHBondContact O-N 2.72Å; S189-T198 WeakPolarHBondContact OG-CB 3.24Å; S189-T198 PolarHBondContact OG-OG1 3.26Å |
| 190 | E | 87.6 | Confident | 89.1 | Confident | 97 Ų | 97 | 53.6 Ų | 53.6 | 45% | 0.453 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 116.7 | 174.7 | -65.5 | 178.1 | -170.4 | 0 | 0 | 108.8 | V187 K192 V197 | V187-E190 HydrophobicContact CG1-CG 3.73Å; E190-K192 PolarHBondContact O-N 3.26Å; E190-V197 HydrophobicContact CG-CG1 4.11Å; E190-V197 HydrophobicContact CG-CG2 4.48Å |
| 191 | N | 87.9 | Confident | 89.1 | Confident | 68 Ų | 68 | 51.6 Ų | 51.6 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | trans | -85.9 | 108.1 | 173.3 | -64.6 | -46.5 | 0 | 0 | 0 | 108.2 | E193 A194 N195 T196 K231 | N191-E193 VanDerWaalsContact C-N 3.28Å; N191-E193 PolarHBondContact O-N 3.36Å; N191-A194 HydrophobicContact CB-CB 4.42Å; N191-N195 PolarHBondContact O-N 3.24Å; N191-T196 WeakPolarHBondContact CB-O 3.49Å; N191-T196 PolarHBondContact N-O 3.24Å; N191-T196 PolarHBondContact ND2-OG1 3.46Å; N191-K231 WeakPolarHBondContact O-CE 3.49Å; N191-K231 PolarHBondContact O-NZ 2.93Å; N191-K231 VanDerWaalsContact O-NZ 3.07Å | ||
| 192 | K | 81.1 | Confident | 89.2 | Confident | 170 Ų | 170 | 49.2 Ų | 49.2 | 74% | 0.739 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -34 | 177.8 | -69.5 | -176.2 | -177.8 | 178.1 | 0 | 111.9 | E190 N195 | E190-K192 PolarHBondContact O-N 3.26Å; K192-N195 PolarHBondContact O-OD1 3.42Å |
| 193 | E | 77.3 | Confident | 89.2 | Confident | 195 Ų | 195 | 49.4 Ų | 49.4 | 91% | 0.911 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -47.1 | -173.4 | -62.1 | 173.1 | -170.4 | 0 | 0 | 112.7 | N191 | N191-E193 VanDerWaalsContact C-N 3.28Å; N191-E193 PolarHBondContact O-N 3.36Å |
| 194 | A | 75.1 | Confident | 89.3 | Confident | 66 Ų | 66 | 48 Ų | 48 | 55% | 0.545 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N191 T196 | N191-A194 HydrophobicContact CB-CB 4.42Å; A194-T196 HydrophobicContact CB-CG2 4.28Å; A194-T196 PolarHBondContact O-N 2.98Å; A194-T196 VanDerWaalsContact O-N 3.07Å |
| 195 | N | 82.3 | Confident | 89.2 | Confident | 96 Ų | 96 | 50.4 Ų | 50.4 | 51% | 0.513 | 26% | 0.262 | S | S | . | . | trans | 52.4 | 25.2 | -170.4 | -68.4 | -42.5 | 0 | 0 | 0 | 115 | N191 K192 K231 | N191-N195 PolarHBondContact O-N 3.24Å; K192-N195 PolarHBondContact O-OD1 3.42Å; N195-K231 HydrophobicContact CB-CD 4.24Å; N195-K231 WeakPolarHBondContact O-CG 3.35Å; N195-K231 PolarHBondContact O-N 2.69Å; N195-K231 PolarHBondContact OD1-NZ 3.36Å | ||
| 196 | T | 86.9 | Confident | 89.1 | Confident | 38 Ų | 38 | 55.1 Ų | 55.1 | 23% | 0.233 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 151.3 | 174.8 | 55.3 | 0 | 0 | 0 | 0 | 111 | N191 A194 L229 | N191-T196 WeakPolarHBondContact CB-O 3.49Å; N191-T196 PolarHBondContact N-O 3.24Å; N191-T196 PolarHBondContact ND2-OG1 3.46Å; A194-T196 HydrophobicContact CB-CG2 4.28Å; A194-T196 PolarHBondContact O-N 2.98Å; A194-T196 VanDerWaalsContact O-N 3.07Å; T196-L229 CarbonylContact C-O 3.56Å; T196-L229 WeakPolarHBondContact CA-O 3.49Å |
| 197 | V | 89.4 | Confident | 88.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.1 | 175.5 | -171.8 | 0 | 0 | 0 | 0 | 107.8 | V187 E190 L199 E228 L229 K231 F235 | V187-V197 HydrophobicContact CG1-CG1 3.76Å; V187-V197 HydrophobicContact CG2-CG1 4.47Å; E190-V197 HydrophobicContact CG-CG1 4.11Å; E190-V197 HydrophobicContact CG-CG2 4.48Å; V197-L199 HydrophobicContact CB-CD2 4.18Å; V197-L199 HydrophobicContact CB-CG 4.43Å; V197-L199 HydrophobicContact CG1-CD2 3.42Å; V197-L199 VanDerWaalsContact CG1-CD2 3.42Å; V197-L199 HydrophobicContact CG1-CG 4.05Å; V197-E228 WeakPolarHBondContact O-CA 3.48Å; V197-L229 PolarHBondContact N-O 3.1Å; V197-L229 PolarHBondContact O-N 2.96Å; V197-K231 HydrophobicContact CG2-CB 4.36Å; V197-K231 HydrophobicContact CG2-CG 3.43Å; V197-K231 VanDerWaalsContact CG2-CG 3.43Å; V197-F235 HydrophobicContact CG1-CZ 4.22Å; V197-F235 HydrophobicContact CG2-CE2 3.8Å; V197-F235 HydrophobicContact CG2-CZ 4.06Å |
| 198 | T | 90.6 | Very high | 88.6 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 122.6 | 171.9 | -43.9 | 0 | 0 | 0 | 0 | 108.6 | V188 S189 V226 L227 E228 | V188-T198 PolarHBondContact N-O 2.94Å; S189-T198 PolarHBondContact N-O 2.85Å; S189-T198 PolarHBondContact O-N 2.72Å; S189-T198 WeakPolarHBondContact OG-CB 3.24Å; S189-T198 PolarHBondContact OG-OG1 3.26Å; T198-V226 HydrophobicContact CG2-CG1 4.07Å; T198-L227 CarbonylContact C-O 3.59Å; T198-L227 WeakPolarHBondContact CA-O 3.36Å; T198-E228 HydrophobicContact CG2-CG 4.41Å |
| 199 | L | 92.3 | Very high | 88.3 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 150.7 | -171.9 | -47.8 | 160.3 | 0 | 0 | 0 | 109.4 | L186 V187 V197 L227 L229 A234 | L186-L199 CarbonylContact O-C 3.57Å; L186-L199 WeakPolarHBondContact O-CA 3.29Å; V187-L199 HydrophobicContact CB-CD2 4.47Å; V187-L199 HydrophobicContact CG2-CD2 3.81Å; V197-L199 HydrophobicContact CB-CD2 4.18Å; V197-L199 HydrophobicContact CB-CG 4.43Å; V197-L199 HydrophobicContact CG1-CD2 3.42Å; V197-L199 VanDerWaalsContact CG1-CD2 3.42Å; V197-L199 HydrophobicContact CG1-CG 4.05Å; L199-L227 PolarHBondContact N-O 3.04Å; L199-L227 PolarHBondContact O-N 2.79Å; L199-L229 HydrophobicContact CD1-CB 3.94Å; L199-L229 HydrophobicContact CD1-CD1 3.52Å; L199-L229 HydrophobicContact CD1-CG 3.81Å; L199-A234 HydrophobicContact CD1-CB 4Å |
| 200 | M | 93.3 | Very high | 88.3 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 21% | 0.212 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.4 | 156.1 | -51 | -168.9 | 159.3 | 0 | 0 | 107.9 | L148 D185 L186 V188 W224 K225 | L148-M200 HydrophobicContact CD1-CB 3.78Å; L148-M200 HydrophobicContact CD1-SD 4.11Å; L148-M200 HydrophobicContact CD2-CB 3.78Å; L148-M200 HydrophobicContact CD2-SD 4.3Å; L148-M200 HydrophobicContact CG-CB 4.48Å; D185-M200 CarbonylContact C-O 3.56Å; D185-M200 WeakPolarHBondContact CA-O 3.15Å; L186-M200 HydrophobicContact CB-CB 4.3Å; L186-M200 HydrophobicContact CD2-SD 4.24Å; L186-M200 PolarHBondContact N-O 3.47Å; L186-M200 PolarHBondContact O-N 2.92Å; V188-M200 HydrophobicContact CG2-CE 4.09Å; V188-M200 HydrophobicContact CG2-CG 3.64Å; V188-M200 HydrophobicContact CG2-SD 4.33Å; M200-W224 WeakPolarHBondContact CA-O 3.36Å; M200-K225 WeakPolarHBondContact CE-O 3.47Å; M200-K225 WeakPolarHBondContact CG-O 3.33Å |
| 201 | R | 93.6 | Very high | 88.1 | Confident | 33 Ų | 33 | 59.5 Ų | 59.5 | 13% | 0.125 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139.4 | -177.5 | 176.1 | 167.1 | -70.5 | 170.5 | -0.9 | 110.8 | L184 D185 I203 R223 W224 L227 | L184-R201 CarbonylContact O-C 3.47Å; L184-R201 WeakPolarHBondContact O-CA 3.44Å; D185-R201 VanDerWaalsContact OD1-CB 3.27Å; D185-R201 WeakPolarHBondContact OD1-CB 3.22Å; D185-R201 WeakPolarHBondContact OD1-CG 3.47Å; D185-R201 IonicContact OD1-CZ 3.48Å; D185-R201 IonicContact OD1-NE 3.15Å; D185-R201 PolarHBondContact OD1-NE 2.97Å; D185-R201 IonicContact OD1-NH2 3.6Å; D185-R201 IonicContact OD2-CZ 2.82Å; D185-R201 IonicContact OD2-NE 3.74Å; D185-R201 PolarHBondContact OD2-NE 2.87Å; D185-R201 IonicContact OD2-NH2 2.75Å; D185-R201 PolarHBondContact OD2-NH2 3.29Å; R201-I203 HydrophobicContact CG-CD1 4.42Å; R201-I203 HydrophobicContact CG-CG1 4.05Å; R201-R223 WeakPolarHBondContact O-CA 3.15Å; R201-W224 HydrophobicContact CB-CB 4.21Å; R201-W224 HydrophobicContact CB-CD2 4.41Å; R201-W224 HydrophobicContact CB-CE3 3.89Å; R201-W224 HydrophobicContact CG-CE3 3.73Å; R201-W224 HydrophobicContact CG-CZ3 4.02Å; R201-W224 PolarHBondContact N-O 3.47Å; R201-W224 PolarHBondContact O-N 3.31Å; R201-L227 HydrophobicContact CB-CD2 4.09Å |
| 202 | V | 94.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 130 | 174.4 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | L144 L148 L184 I221 R222 | L144-V202 HydrophobicContact CD1-CB 4.45Å; L144-V202 HydrophobicContact CD1-CG2 4.06Å; L148-V202 HydrophobicContact CD1-CG2 4.32Å; L148-V202 HydrophobicContact CD2-CG2 3.48Å; L148-V202 VanDerWaalsContact CD2-CG2 3.48Å; L148-V202 HydrophobicContact CG-CG2 3.56Å; L184-V202 HydrophobicContact CB-CB 4.28Å; L184-V202 WeakPolarHBondContact CD1-O 3.43Å; L184-V202 PolarHBondContact N-O 3.41Å; L184-V202 PolarHBondContact O-N 2.65Å; V202-I221 HydrophobicContact CG1-CG2 3.25Å; V202-R222 CarbonylContact C-O 3.56Å; V202-R222 WeakPolarHBondContact CA-O 3.21Å |
| 203 | I | 94.4 | Very high | 87.3 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 17% | 0.169 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 114.2 | 175.9 | -55.9 | 178.2 | 0 | 0 | 0 | 108.5 | T183 R201 R205 R222 W224 | T183-I203 HydrophobicContact CG2-CD1 4.05Å; T183-I203 HydrophobicContact CG2-CG1 4.14Å; R201-I203 HydrophobicContact CG-CD1 4.42Å; R201-I203 HydrophobicContact CG-CG1 4.05Å; I203-R205 PolarHBondContact O-N 2.84Å; I203-R222 HydrophobicContact CB-CB 4.41Å; I203-R222 PolarHBondContact N-O 3.2Å; I203-R222 PolarHBondContact O-N 2.8Å; I203-W224 HydrophobicContact CB-CZ3 4.48Å; I203-W224 HydrophobicContact CD1-CH2 3.8Å; I203-W224 HydrophobicContact CD1-CZ3 3.58Å; I203-W224 HydrophobicContact CG1-CZ3 3.87Å |
| 204 | P | 94.3 | Very high | 87.2 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.019 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 123.8 | 170.2 | 29 | -28.1 | 0 | 0 | 0 | 109.5 | V178 K179 G181 D182 L184 V219 | V178-P204 HydrophobicContact CG1-CG 3.88Å; K179-P204 WeakPolarHBondContact O-CG 3.39Å; G181-P204 PolarHBondContact N-O 2.82Å; D182-P204 WeakPolarHBondContact O-CD 3.38Å; L184-P204 HydrophobicContact CD1-CG 4.41Å; P204-V219 HydrophobicContact CB-CG1 4.15Å |
| 205 | R | 92.4 | Very high | 87.8 | Confident | 50 Ų | 50 | 58.6 Ų | 58.6 | 19% | 0.189 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -48.7 | -174.4 | -86.8 | -167 | 156.9 | -121.2 | -10.6 | 114.3 | E118 E120 V180 I203 S220 | E118-R205 IonicContact OE2-NH1 2.71Å; E120-R205 IonicContact OE1-CZ 3.85Å; E120-R205 IonicContact OE1-NH2 2.65Å; E120-R205 PolarHBondContact OE1-NH2 2.82Å; E120-R205 IonicContact OE2-NH2 2.88Å; E120-R205 PolarHBondContact OE2-NH2 3.39Å; V180-R205 VanDerWaalsContact CG1-C 3.43Å; V180-R205 WeakPolarHBondContact CG1-O 3.27Å; I203-R205 PolarHBondContact O-N 2.84Å; R205-S220 PolarHBondContact N-O 3.19Å |
| 206 | K | 92.1 | Very high | 88.2 | Confident | 101 Ų | 101 | 58.1 Ų | 58.1 | 44% | 0.439 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 143.8 | -177.4 | -57.9 | 177.9 | -178.2 | 170.7 | 0 | 109.6 | S220 | K206-S220 WeakPolarHBondContact CA-OG 3.46Å; K206-S220 WeakPolarHBondContact CB-OG 3.5Å; K206-S220 PolarHBondContact N-OG 3Å; K206-S220 PolarHBondContact O-N 3.01Å; K206-S220 PolarHBondContact O-OG 3.43Å |
| 207 | V | 90.9 | Very high | 88.5 | Confident | 64 Ų | 64 | 60.1 Ų | 60.1 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 117.6 | 169.1 | -176.6 | 0 | 0 | 0 | 0 | 106.9 | F138 V180 V219 | F138-V207 HydrophobicContact CE1-CG2 3.6Å; F138-V207 HydrophobicContact CZ-CB 4.41Å; F138-V207 HydrophobicContact CZ-CG1 3.92Å; F138-V207 HydrophobicContact CZ-CG2 3.55Å; V180-V207 HydrophobicContact CG2-CG2 3.88Å; V207-V219 HydrophobicContact CG2-CG2 4.48Å |
| 208 | L | 86.1 | Confident | 88.7 | Confident | 87 Ų | 87 | 62.9 Ų | 62.9 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -23.6 | -172.5 | -63 | 173 | 0 | 0 | 0 | 112.3 | E132 K218 | E132-L208 HydrophobicContact CG-CD1 4.07Å; E132-L208 WeakPolarHBondContact OE1-CD1 3.48Å; L208-K218 HydrophobicContact CB-CB 4.3Å; L208-K218 HydrophobicContact CB-CD 4.29Å; L208-K218 HydrophobicContact CB-CG 4.32Å; L208-K218 HydrophobicContact CD1-CD 4.19Å; L208-K218 HydrophobicContact CD1-CG 4.29Å; L208-K218 PolarHBondContact N-O 2.93Å |
| 209 | G | 85.6 | Confident | 88.9 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 33% | 0.33 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.3 | -172.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K218 | G209-K218 PolarHBondContact O-N 3.35Å |
| 210 | E | 85.3 | Confident | 88.9 | Confident | 132 Ų | 132 | 63 Ų | 63 | 62% | 0.617 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 147.2 | 171.3 | -67.8 | 169.5 | -167 | 0 | 0 | 109.7 | Y217 | E210-Y217 HydrophobicContact CG-CD1 3.98Å; E210-Y217 HydrophobicContact CG-CE1 3.89Å |
| 211 | S | 84.6 | Confident | 89 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 13% | 0.126 | 32% | 0.321 | C | S | . | . | trans | -65 | 161.7 | 174 | 57.1 | 0 | 0 | 0 | 0 | 111.3 | D213 G214 K216 | S211-D213 PolarHBondContact O-N 2.9Å; S211-G214 PolarHBondContact O-N 3.06Å; S211-K216 PolarHBondContact N-O 3.02Å; S211-K216 PolarHBondContact OG-N 2.74Å; S211-K216 PolarHBondContact OG-O 3.33Å | ||
| 212 | N | 75.4 | Confident | 89 | Confident | 175 Ų | 175 | 60 Ų | 60 | 94% | 0.936 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -29.7 | 175.8 | -71.1 | -29 | 0 | 0 | 0 | 113.5 | ||
| 213 | D | 77.3 | Confident | 88.9 | Confident | 139 Ų | 139 | 61 Ų | 61 | 74% | 0.743 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -3.8 | 179.1 | -51.2 | -54.9 | 0 | 0 | 0 | 113.9 | S211 D215 | S211-D213 PolarHBondContact O-N 2.9Å; D213-D215 PolarHBondContact O-N 3.27Å; D213-D215 VanDerWaalsContact O-N 3.13Å |
| 214 | G | 75.4 | Confident | 88.9 | Confident | 39 Ų | 39 | 60 Ų | 60 | 40% | 0.402 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 74.8 | -11.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | S211 | S211-G214 PolarHBondContact O-N 3.06Š|
| 215 | D | 86.4 | Confident | 88.7 | Confident | 128 Ų | 128 | 65.9 Ų | 65.9 | 68% | 0.684 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -90.7 | -21 | -171.9 | -70.7 | -26.9 | 0 | 0 | 0 | 114.8 | D213 | D213-D215 PolarHBondContact O-N 3.27Å; D213-D215 VanDerWaalsContact O-N 3.13Å |
| 216 | K | 91.9 | Very high | 88.5 | Confident | 85 Ų | 85 | 67.9 Ų | 67.9 | 37% | 0.37 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -121.6 | 142.9 | -173.5 | -60 | 175.5 | -176.5 | 172.7 | 0 | 110.7 | Y134 S211 | Y134-K216 HydrophobicContact CD1-CB 4.43Å; S211-K216 PolarHBondContact N-O 3.02Å; S211-K216 PolarHBondContact OG-N 2.74Å; S211-K216 PolarHBondContact OG-O 3.33Å |
| 217 | Y | 92.3 | Very high | 88.3 | Confident | 81 Ų | 81 | 63.1 Ų | 63.1 | 32% | 0.318 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 129.4 | 173.9 | -60.2 | -83.7 | 0 | 0 | 0 | 110.1 | Y134 V135 F138 E210 | Y134-Y217 CarbonylContact C-O 3.56Å; Y134-Y217 WeakPolarHBondContact CA-O 3.36Å; V135-Y217 PolarHBondContact N-O 3.02Å; V135-Y217 PolarHBondContact O-N 3.01Å; F138-Y217 HydrophobicContact CE2-CD1 4.1Å; F138-Y217 HydrophobicContact CE2-CD2 4.08Å; F138-Y217 HydrophobicContact CE2-CE1 4.46Å; F138-Y217 HydrophobicContact CE2-CE2 4.47Å; F138-Y217 AromaticContact CE2-CG 3.89Å; F138-Y217 HydrophobicContact CE2-CG 3.89Å; F138-Y217 HydrophobicContact CZ-CD1 4.34Å; F138-Y217 HydrophobicContact CZ-CG 4.04Å; E210-Y217 HydrophobicContact CG-CD1 3.98Å; E210-Y217 HydrophobicContact CG-CE1 3.89Å |
| 218 | K | 93.6 | Very high | 88.2 | Confident | 57 Ų | 57 | 65.8 Ų | 65.8 | 25% | 0.248 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 116.6 | 171 | -163 | -179 | -176.1 | -163.9 | 0 | 109 | E132 Y134 L208 G209 | E132-K218 WeakPolarHBondContact OE2-CE 3.41Å; E132-K218 IonicContact OE2-NZ 2.79Å; E132-K218 PolarHBondContact OE2-NZ 3.13Å; Y134-K218 HydrophobicContact CD1-CB 3.99Å; Y134-K218 HydrophobicContact CD1-CG 4.21Å; Y134-K218 HydrophobicContact CE1-CB 3.69Å; Y134-K218 HydrophobicContact CE1-CD 4Å; Y134-K218 HydrophobicContact CE1-CG 3.7Å; L208-K218 HydrophobicContact CB-CB 4.3Å; L208-K218 HydrophobicContact CB-CD 4.29Å; L208-K218 HydrophobicContact CB-CG 4.32Å; L208-K218 HydrophobicContact CD1-CD 4.19Å; L208-K218 HydrophobicContact CD1-CG 4.29Å; L208-K218 PolarHBondContact N-O 2.93Å; G209-K218 PolarHBondContact O-N 3.35Å |
| 219 | V | 93.9 | Very high | 88.3 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132.1 | -176.1 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | E132 K133 V135 F138 P204 V207 I221 | E132-V219 WeakPolarHBondContact CA-O 3.1Å; K133-V219 PolarHBondContact N-O 3.45Å; K133-V219 PolarHBondContact O-N 2.91Å; V135-V219 HydrophobicContact CB-CG2 4.49Å; V135-V219 HydrophobicContact CG2-CB 4.4Å; V135-V219 HydrophobicContact CG2-CG2 4.2Å; F138-V219 HydrophobicContact CE1-CG2 3.63Å; F138-V219 HydrophobicContact CZ-CG2 4.1Å; P204-V219 HydrophobicContact CB-CG1 4.15Å; V207-V219 HydrophobicContact CG2-CG2 4.48Å; V219-I221 HydrophobicContact CB-CG1 4.36Å; V219-I221 HydrophobicContact CG1-CG1 3.95Å |
| 220 | S | 94.2 | Very high | 88.4 | Confident | 22 Ų | 22 | 63.5 Ų | 63.5 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 128 | 167.5 | 60.2 | 0 | 0 | 0 | 0 | 109.4 | R205 K206 | R205-S220 PolarHBondContact N-O 3.19Å; K206-S220 WeakPolarHBondContact CA-OG 3.46Å; K206-S220 WeakPolarHBondContact CB-OG 3.5Å; K206-S220 PolarHBondContact N-OG 3Å; K206-S220 PolarHBondContact O-N 3.01Å; K206-S220 PolarHBondContact O-OG 3.43Å |
| 221 | I | 94.8 | Very high | 88.3 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.9 | -171.9 | -60.1 | 179.5 | 0 | 0 | 0 | 108.3 | M131 K133 V202 V219 | M131-I221 PolarHBondContact N-O 3.45Å; M131-I221 PolarHBondContact O-N 3.12Å; K133-I221 HydrophobicContact CB-CD1 4.17Å; V202-I221 HydrophobicContact CG1-CG2 3.25Å; V219-I221 HydrophobicContact CB-CG1 4.36Å; V219-I221 HydrophobicContact CG1-CG1 3.95Å |
| 222 | R | 93.7 | Very high | 88.2 | Confident | 9 Ų | 9 | 65.1 Ų | 65.1 | 3% | 0.034 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 129.1 | 168 | -173.4 | 167.6 | -72.7 | -176.2 | -6.5 | 110.3 | E120 Y128 D130 V202 I203 W224 | E120-R222 IonicContact OE2-NH1 3.72Å; E120-R222 PolarHBondContact OE2-NH1 3.17Å; E120-R222 VanDerWaalsContact OE2-NH1 3.15Å; Y128-R222 HydrophobicContact CD2-CG 3.98Å; Y128-R222 VanDerWaalsContact CE2-CZ 3.46Å; Y128-R222 HydrophobicContact CG-CG 4.19Å; D130-R222 WeakPolarHBondContact OD1-CA 3.42Å; D130-R222 WeakPolarHBondContact OD1-CB 3.38Å; D130-R222 WeakPolarHBondContact OD1-CD 3.42Å; D130-R222 WeakPolarHBondContact OD1-CG 3.44Å; D130-R222 IonicContact OD1-CZ 3.96Å; D130-R222 IonicContact OD1-NE 2.83Å; D130-R222 PolarHBondContact OD1-NE 3.32Å; D130-R222 IonicContact OD1-NH2 3.59Å; D130-R222 IonicContact OD2-CZ 3.64Å; D130-R222 IonicContact OD2-NE 3.62Å; D130-R222 PolarHBondContact OD2-NE 3.37Å; D130-R222 IonicContact OD2-NH2 2.85Å; D130-R222 PolarHBondContact OD2-NH2 3.03Å; V202-R222 CarbonylContact C-O 3.56Å; V202-R222 WeakPolarHBondContact CA-O 3.21Å; I203-R222 HydrophobicContact CB-CB 4.41Å; I203-R222 PolarHBondContact N-O 3.2Å; I203-R222 PolarHBondContact O-N 2.8Å; R222-W224 HydrophobicContact CB-CH2 4.43Å; R222-W224 HydrophobicContact CB-CZ3 4.12Å; R222-W224 HydrophobicContact CG-CE3 4.12Å; R222-W224 HydrophobicContact CG-CH2 3.49Å; R222-W224 VanDerWaalsContact CG-CH2 3.49Å; R222-W224 HydrophobicContact CG-CZ2 4.17Å; R222-W224 HydrophobicContact CG-CZ3 3.45Å; R222-W224 VanDerWaalsContact CG-CZ3 3.45Å |
| 223 | R | 92.6 | Very high | 88.5 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 135.9 | -175.1 | 179.3 | -164.4 | -177.1 | 153.8 | 1.3 | 111.8 | Y128 K129 G147 L148 D149 R201 K225 | Y128-R223 WeakPolarHBondContact CA-O 3.49Å; K129-R223 PolarHBondContact N-O 3.03Å; K129-R223 PolarHBondContact O-N 2.87Å; G147-R223 WeakPolarHBondContact O-CD 3.46Å; G147-R223 PolarHBondContact O-NE 3.41Å; G147-R223 PolarHBondContact O-NH1 2.86Å; L148-R223 HydrophobicContact CD2-CG 4.09Å; L148-R223 PolarHBondContact O-NH2 3.17Å; D149-R223 IonicContact OD2-CZ 3.41Å; D149-R223 IonicContact OD2-NH1 3.6Å; D149-R223 PolarHBondContact OD2-NH1 2.83Å; R201-R223 WeakPolarHBondContact O-CA 3.15Å; R223-K225 VanDerWaalsContact NE-CG 3.3Å; R223-K225 VanDerWaalsContact NH2-CE 3.27Å |
| 224 | W | 93.4 | Very high | 88.6 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 5% | 0.053 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.5 | 161.6 | -66.9 | -100.2 | 0 | 0 | 0 | 109.6 | Y128 M200 R201 I203 R222 L227 | Y128-W224 VanDerWaalsContact CB-CE2 3.41Å; Y128-W224 HydrophobicContact CD1-CZ2 4.2Å; Y128-W224 HydrophobicContact CG-CZ2 4.13Å; M200-W224 WeakPolarHBondContact CA-O 3.36Å; R201-W224 HydrophobicContact CB-CB 4.21Å; R201-W224 HydrophobicContact CB-CD2 4.41Å; R201-W224 HydrophobicContact CB-CE3 3.89Å; R201-W224 HydrophobicContact CG-CE3 3.73Å; R201-W224 HydrophobicContact CG-CZ3 4.02Å; R201-W224 PolarHBondContact N-O 3.47Å; R201-W224 PolarHBondContact O-N 3.31Å; I203-W224 HydrophobicContact CB-CZ3 4.48Å; I203-W224 HydrophobicContact CD1-CH2 3.8Å; I203-W224 HydrophobicContact CD1-CZ3 3.58Å; I203-W224 HydrophobicContact CG1-CZ3 3.87Å; R222-W224 HydrophobicContact CB-CH2 4.43Å; R222-W224 HydrophobicContact CB-CZ3 4.12Å; R222-W224 HydrophobicContact CG-CE3 4.12Å; R222-W224 HydrophobicContact CG-CH2 3.49Å; R222-W224 VanDerWaalsContact CG-CH2 3.49Å; R222-W224 HydrophobicContact CG-CZ2 4.17Å; R222-W224 HydrophobicContact CG-CZ3 3.45Å; R222-W224 VanDerWaalsContact CG-CZ3 3.45Å; W224-L227 HydrophobicContact CB-CB 4.15Å |
| 225 | K | 89.9 | Confident | 89 | Confident | 126 Ų | 126 | 55.4 Ų | 55.4 | 55% | 0.548 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -30.8 | 174.3 | -69.3 | -170 | -169.8 | -170.9 | 0 | 112.5 | M200 R223 | M200-K225 WeakPolarHBondContact CE-O 3.47Å; M200-K225 WeakPolarHBondContact CG-O 3.33Å; R223-K225 VanDerWaalsContact NE-CG 3.3Å; R223-K225 VanDerWaalsContact NH2-CE 3.27Å |
| 226 | V | 88.8 | Confident | 88.7 | Confident | 91 Ų | 91 | 55.4 Ų | 55.4 | 55% | 0.552 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 113.7 | 178.9 | -176.8 | 0 | 0 | 0 | 0 | 106.5 | T198 | T198-V226 HydrophobicContact CG2-CG1 4.07Å |
| 227 | L | 88.9 | Confident | 87.4 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 119.5 | 175 | -179.4 | 67.5 | 0 | 0 | 0 | 108.6 | L124 T198 L199 R201 W224 L229 | L124-L227 HydrophobicContact CD2-CD1 3.98Å; L124-L227 HydrophobicContact CD2-CD2 4.42Å; T198-L227 CarbonylContact C-O 3.59Å; T198-L227 WeakPolarHBondContact CA-O 3.36Å; L199-L227 PolarHBondContact N-O 3.04Å; L199-L227 PolarHBondContact O-N 2.79Å; R201-L227 HydrophobicContact CB-CD2 4.09Å; W224-L227 HydrophobicContact CB-CB 4.15Å; L227-L229 HydrophobicContact CD1-CD2 4.31Å; L227-L229 HydrophobicContact CD2-CD1 3.93Å; L227-L229 HydrophobicContact CD2-CD2 4.37Å; L227-L229 HydrophobicContact CD2-CG 4.05Å; L227-L229 HydrophobicContact CG-CD1 4.43Å; L227-L229 HydrophobicContact CG-CD2 4.23Å; L227-L229 HydrophobicContact CG-CG 3.99Å |
| 228 | E | 88.7 | Confident | 87.2 | Confident | 119 Ų | 119 | 59.3 Ų | 59.3 | 56% | 0.556 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 119.7 | 175.5 | -62.1 | -169.8 | 163.4 | 0 | 0 | 109.5 | V197 T198 | V197-E228 WeakPolarHBondContact O-CA 3.48Å; T198-E228 HydrophobicContact CG2-CG 4.41Å |
| 229 | L | 86.9 | Confident | 86.8 | Confident | 24 Ų | 24 | 59.4 Ų | 59.4 | 13% | 0.126 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 152.3 | 175.6 | -64.4 | -177.4 | 0 | 0 | 0 | 110.5 | T196 V197 L199 L227 A234 | T196-L229 CarbonylContact C-O 3.56Å; T196-L229 WeakPolarHBondContact CA-O 3.49Å; V197-L229 PolarHBondContact N-O 3.1Å; V197-L229 PolarHBondContact O-N 2.96Å; L199-L229 HydrophobicContact CD1-CB 3.94Å; L199-L229 HydrophobicContact CD1-CD1 3.52Å; L199-L229 HydrophobicContact CD1-CG 3.81Å; L227-L229 HydrophobicContact CD1-CD2 4.31Å; L227-L229 HydrophobicContact CD2-CD1 3.93Å; L227-L229 HydrophobicContact CD2-CD2 4.37Å; L227-L229 HydrophobicContact CD2-CG 4.05Å; L227-L229 HydrophobicContact CG-CD1 4.43Å; L227-L229 HydrophobicContact CG-CD2 4.23Å; L227-L229 HydrophobicContact CG-CG 3.99Å; L229-A234 HydrophobicContact CB-CB 4.11Å |
| 230 | A | 87.7 | Confident | 86.4 | Confident | 47 Ų | 47 | 62.6 Ų | 62.6 | 39% | 0.388 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 144.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | D232 V233 A234 | A230-D232 PolarHBondContact O-N 3.44Å; A230-V233 HydrophobicContact CB-CG2 4.48Å; A230-V233 PolarHBondContact O-N 3.13Å; A230-V233 VanDerWaalsContact O-N 3.1Å; A230-A234 WeakPolarHBondContact O-CB 3.14Å; A230-A234 PolarHBondContact O-N 3.3Å |
| 231 | K | 84.6 | Confident | 86 | Confident | 40 Ų | 40 | 65 Ų | 65 | 17% | 0.174 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -52.9 | -39.5 | -179.9 | -76.3 | 170.7 | -171.6 | 163.6 | 0 | 113.2 | N191 N195 V197 V233 A234 F235 | N191-K231 WeakPolarHBondContact O-CE 3.49Å; N191-K231 PolarHBondContact O-NZ 2.93Å; N191-K231 VanDerWaalsContact O-NZ 3.07Å; N195-K231 HydrophobicContact CB-CD 4.24Å; N195-K231 WeakPolarHBondContact O-CG 3.35Å; N195-K231 PolarHBondContact O-N 2.69Å; N195-K231 PolarHBondContact OD1-NZ 3.36Å; V197-K231 HydrophobicContact CG2-CB 4.36Å; V197-K231 HydrophobicContact CG2-CG 3.43Å; V197-K231 VanDerWaalsContact CG2-CG 3.43Å; K231-V233 VanDerWaalsContact C-N 3.27Å; K231-V233 PolarHBondContact O-N 3Å; K231-A234 PolarHBondContact O-N 3.49Å; K231-F235 HydrophobicContact CB-CD2 4.3Å; K231-F235 HydrophobicContact CG-CE2 4.29Å; K231-F235 WeakPolarHBondContact O-CD2 3.05Å; K231-F235 PolarHBondContact O-N 3.35Å |
| 232 | D | 82.4 | Confident | 85.4 | Confident | 145 Ų | 145 | 68.9 Ų | 68.9 | 78% | 0.775 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -68.9 | -27.8 | -175.9 | -52.6 | -37.5 | 0 | 0 | 0 | 112.6 | A230 | A230-D232 PolarHBondContact O-N 3.44Å |
| 233 | V | 81.9 | Confident | 84.9 | Confident | 102 Ų | 102 | 72.9 Ų | 72.9 | 62% | 0.618 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -88.1 | -36.8 | 177.5 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | A230 K231 | A230-V233 HydrophobicContact CB-CG2 4.48Å; A230-V233 PolarHBondContact O-N 3.13Å; A230-V233 VanDerWaalsContact O-N 3.1Å; K231-V233 VanDerWaalsContact C-N 3.27Å; K231-V233 PolarHBondContact O-N 3Å |
| 234 | A | 79.1 | Confident | 84.3 | Confident | 2 Ų | 2 | 76.6 Ų | 76.6 | 2% | 0.017 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -71 | -37.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L199 L229 A230 K231 | L199-A234 HydrophobicContact CD1-CB 4Å; L229-A234 HydrophobicContact CB-CB 4.11Å; A230-A234 WeakPolarHBondContact O-CB 3.14Å; A230-A234 PolarHBondContact O-N 3.3Å; K231-A234 PolarHBondContact O-N 3.49Å |
| 235 | F | 83.4 | Confident | 83.6 | Confident | 45 Ų | 45 | 81.5 Ų | 81.5 | 20% | 0.197 | 44% | 0.441 | C | S | . | . | trans | -108.8 | 112.7 | -177.6 | -56.3 | -50.1 | 0 | 0 | 0 | 110.2 | R165 V187 V197 K231 | R165-F235 HydrophobicContact CG-CE1 4.36Å; V187-F235 HydrophobicContact CG2-CE1 4.02Å; V187-F235 HydrophobicContact CG2-CZ 4.28Å; V197-F235 HydrophobicContact CG1-CZ 4.22Å; V197-F235 HydrophobicContact CG2-CE2 3.8Å; V197-F235 HydrophobicContact CG2-CZ 4.06Å; K231-F235 HydrophobicContact CB-CD2 4.3Å; K231-F235 HydrophobicContact CG-CE2 4.29Å; K231-F235 WeakPolarHBondContact O-CD2 3.05Å; K231-F235 PolarHBondContact O-N 3.35Å | ||
| 236 | K | 80.8 | Confident | 83.1 | Confident | 128 Ų | 128 | 77.8 Ų | 77.8 | 56% | 0.557 | 43% | 0.433 | S | S | * | . | trans | -80.7 | 135 | 168.3 | -64.7 | -169.6 | -172.5 | 173.1 | 0 | 109 | N167 G168 | N167-K236 WeakPolarHBondContact O-CD 3.48Å; G168-K236 PolarHBondContact O-N 2.88Å | ||
| 237 | P | 64 | Low | 82.6 | Confident | 188 Ų | 188 | 76.5 Ų | 76.5 | 100% | 1.221 | 42% | 0.422 | S | S | * | . | trans | -65 | 0 | 176.6 | 27.5 | -34 | 0 | 0 | 0 | 112.8 |
Retrieved 237 of 237 residues in 183.4 ms
(Link to these results)