| 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 | 50.3 | Low | 51 | Low | 220 Ų | 220 | 157.6 Ų | 157.6 | 100% | 1.084 | 82% | 0.824 | S | S | * | * | 0 | 36.6 | 0 | -49.5 | -48.2 | -161.4 | 0 | 0 | 111.5 | |||||
| 2 | D | 40.3 | Very low | 51.2 | Low | 142 Ų | 142 | 159.1 Ų | 159.1 | 76% | 0.759 | 83% | 0.827 | S | S | * | * | 27.7 | 99.7 | 124.2 | -46.2 | -65.9 | 0 | 0 | 0 | 116.8 | |||||
| 3 | K | 43.9 | Very low | 51 | Low | 195 Ų | 195 | 162.8 Ų | 162.8 | 85% | 0.848 | 83% | 0.833 | S | S | * | * | 61.6 | 115.8 | 93.6 | -81.7 | -177.6 | 179.2 | 171.9 | 0 | 114 | |||||
| 4 | E | 60.5 | Low | 51.2 | Low | 185 Ų | 185 | 164.9 Ų | 164.9 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | -167.5 | 115 | 119.5 | -106.4 | 176.3 | 154.1 | 0 | 0 | 112.1 | |||||
| 5 | Q | 50.6 | Low | 50.5 | Low | 192 Ų | 192 | 168.1 Ų | 168.1 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | trans | -99.1 | 105.8 | 176.1 | -140.2 | 163.3 | 7.8 | 0 | 0 | 105.8 | V7 | Q5-V7 PolarHBondContact O-N 2.75Š| ||
| 6 | L | 57.3 | Low | 50.4 | Low | 168 Ų | 168 | 170.9 Ų | 170.9 | 88% | 0.88 | 85% | 0.845 | S | S | * | * | trans | -76.2 | 105 | 179 | -74.6 | 173.3 | 0 | 0 | 0 | 110.3 | ||||
| 7 | V | 49.9 | Very low | 49.8 | Very low | 131 Ų | 131 | 173.1 Ų | 173.1 | 79% | 0.794 | 85% | 0.848 | S | S | * | * | trans | -75.7 | 127.5 | 168.8 | 174.8 | 0 | 0 | 0 | 0 | 108.9 | Q5 | Q5-V7 PolarHBondContact O-N 2.75Š| ||
| 8 | F | 49.3 | Very low | 49 | Very low | 186 Ų | 186 | 174.7 Ų | 174.7 | 82% | 0.816 | 85% | 0.85 | S | S | * | * | trans | -88.8 | 118.8 | 178.6 | 176.8 | -97 | 0 | 0 | 0 | 110.6 | ||||
| 9 | D | 56.2 | Low | 48.8 | Very low | 139 Ų | 139 | 176.2 Ų | 176.2 | 74% | 0.743 | 85% | 0.851 | S | S | * | * | trans | -100.2 | 115.4 | -175.6 | -133.1 | -37.7 | 0 | 0 | 0 | 111.6 | G11 | D9-G11 PolarHBondContact O-N 2.81Å; D9-G11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | P | 50.4 | Low | 48.1 | Very low | 115 Ų | 115 | 176 Ų | 176 | 75% | 0.747 | 85% | 0.849 | S | S | * | * | trans | -90.4 | 61.3 | -174.5 | 35.7 | -32.7 | 0 | 0 | 0 | 112.1 | ||||
| 11 | G | 52 | Low | 47.6 | Very low | 61 Ų | 61 | 175.4 Ų | 175.4 | 63% | 0.629 | 85% | 0.849 | S | S | * | * | trans | -114 | -17.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 117 | D9 K13 | D9-G11 PolarHBondContact O-N 2.81Å; D9-G11 VanDerWaalsContact O-N 3.14Å; G11-K13 PolarHBondContact O-N 3.15Å | ||
| 12 | M | 53.4 | Low | 46.8 | Very low | 175 Ų | 175 | 171.6 Ų | 171.6 | 86% | 0.862 | 83% | 0.832 | S | S | * | * | trans | -92.7 | 90.5 | -166.6 | -64.7 | -173 | 84.7 | 0 | 0 | 113.7 | K14 | M12-K14 PolarHBondContact O-N 3.34Š| ||
| 13 | K | 48.8 | Very low | 47 | Very low | 207 Ų | 207 | 172.6 Ų | 172.6 | 90% | 0.9 | 84% | 0.836 | S | S | * | * | trans | -60.2 | 98 | 164 | -71.2 | 177 | 178.2 | 171.9 | 0 | 110.8 | G11 K15 | G11-K13 PolarHBondContact O-N 3.15Å; K13-K15 PolarHBondContact O-N 3.17Å | ||
| 14 | K | 53.9 | Low | 46.9 | Very low | 193 Ų | 193 | 171.7 Ų | 171.7 | 84% | 0.839 | 84% | 0.835 | S | S | * | * | trans | -78.5 | 109.6 | 170 | -80.9 | -179.3 | 175.9 | 175 | 0 | 111.2 | M12 K16 | M12-K14 PolarHBondContact O-N 3.34Å; K14-K16 PolarHBondContact O-N 3.34Å | ||
| 15 | K | 41.3 | Very low | 45.7 | Very low | 213 Ų | 213 | 169 Ų | 169 | 93% | 0.926 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 122.9 | 163.3 | -88.4 | 173.8 | 170.4 | 173.9 | 0 | 109.9 | K13 | K13-K15 PolarHBondContact O-N 3.17Š|
| 16 | K | 47.8 | Very low | 45.2 | Very low | 213 Ų | 213 | 164 Ų | 164 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 118.1 | 168.7 | -109.1 | -179.9 | 178.5 | 178.6 | 0 | 110.1 | K14 | K14-K16 PolarHBondContact O-N 3.34Š|
| 17 | K | 40.6 | Very low | 44.1 | Very low | 208 Ų | 208 | 165 Ų | 165 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 128.1 | 177 | -163.1 | 172 | -176.6 | 177.6 | 0 | 109.7 | ||
| 18 | K | 36.1 | Very low | 43.2 | Very low | 202 Ų | 202 | 163.9 Ų | 163.9 | 88% | 0.878 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -77 | 128.4 | 174 | -162.3 | 176.7 | -177.3 | -173.9 | 0 | 107.9 | ||
| 19 | K | 44.1 | Very low | 42.5 | Very low | 202 Ų | 202 | 159 Ų | 159 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 116.8 | 176.6 | -162.8 | 174.5 | -176.5 | -178.8 | 0 | 107.5 | ||
| 20 | E | 35.7 | Very low | 41.3 | Very low | 173 Ų | 173 | 161 Ų | 161 | 81% | 0.808 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 142.4 | 171.4 | -71.5 | 170.9 | 142 | 0 | 0 | 109.8 | ||
| 21 | L | 37 | Very low | 40.6 | Very low | 163 Ų | 163 | 159.8 Ų | 159.8 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -129.8 | 105.4 | 172.7 | -148.8 | 152.2 | 0 | 0 | 0 | 105.8 | ||||
| 22 | I | 33.4 | Very low | 39.7 | Very low | 141 Ų | 141 | 162.7 Ų | 162.7 | 72% | 0.723 | 83% | 0.828 | S | S | * | * | trans | -87.8 | 131.4 | 178.1 | -68 | 160 | 0 | 0 | 0 | 106.9 | ||||
| 23 | L | 44.6 | Very low | 38.7 | Very low | 162 Ų | 162 | 160 Ų | 160 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | trans | -145.8 | 122 | 164.3 | -151.4 | 79.7 | 0 | 0 | 0 | 109 | ||||
| 24 | E | 42.8 | Very low | 38.1 | Very low | 177 Ų | 177 | 156.4 Ų | 156.4 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -75.4 | 153.4 | -176.6 | -54.1 | -165 | 135.5 | 0 | 0 | 112.7 | ||||
| 25 | P | 35 | Very low | 37.3 | Very low | 128 Ų | 128 | 156 Ų | 156 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -114.6 | 126.7 | 161.3 | 34.2 | -20.8 | 0 | 0 | 0 | 111.7 | ||||
| 26 | A | 39.6 | Very low | 37.3 | Very low | 88 Ų | 88 | 153.9 Ų | 153.9 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -102 | 126 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 27 | E | 33.9 | Very low | 37.1 | Very low | 188 Ų | 188 | 149.3 Ų | 149.3 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | 46 | 137.8 | 136.3 | -59.2 | 177.4 | 158.2 | 0 | 0 | 119 | ||||
| 28 | S | 30.6 | Very low | 37.3 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | cis | -178.6 | 156.9 | 8.4 | 43.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 29 | A | 34.9 | Very low | 37.5 | Very low | 85 Ų | 85 | 138.6 Ų | 138.6 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | trans | 60.8 | 142.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 30 | Q | 32.2 | Very low | 37.9 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | cis | -175.7 | 149.8 | 0.6 | -112.5 | 164.3 | -12.3 | 0 | 0 | 106.3 | ||||
| 31 | A | 34.8 | Very low | 38.3 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | 64.8 | 137 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 32 | T | 32.4 | Very low | 38.5 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | cis | 178.3 | 141.6 | 21.5 | 11.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 33 | V | 33.6 | Very low | 38.7 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | trans | 44.3 | 134.8 | 147.1 | -119.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 34 | D | 35.2 | Very low | 38.7 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | -174.5 | 150.7 | 54.5 | -95.3 | -60.5 | 0 | 0 | 0 | 113.1 | |||||
| 35 | Q | 38.5 | Very low | 38.5 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | 75.1 | 104.6 | 150 | -75.3 | 178.3 | -9.7 | 0 | 0 | 123.7 | ||||
| 36 | E | 40.6 | Very low | 39 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -65.3 | 176.3 | 147.5 | -122.3 | -166.5 | 120.9 | 0 | 0 | 111.3 | ||||
| 37 | P | 43.6 | Very low | 39 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | cis | -151.1 | -155.6 | 42.2 | 46.5 | -22 | 0 | 0 | 0 | 113.7 | ||||
| 38 | P | 44.3 | Very low | 39.5 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | -127.7 | -168.8 | -106.9 | 35.2 | -11.6 | 0 | 0 | 0 | 114 | |||||
| 39 | A | 40.3 | Very low | 39.8 | Very low | 83 Ų | 83 | 147.6 Ų | 147.6 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | trans | 95.4 | 122.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 40 | L | 52.3 | Low | 40 | Very low | 158 Ų | 158 | 153.2 Ų | 153.2 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | 174.2 | 92.7 | 113.8 | -81.6 | 173.1 | 0 | 0 | 0 | 110.1 | |||||
| 41 | D | 44.9 | Very low | 40.1 | Very low | 135 Ų | 135 | 154.4 Ų | 154.4 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | 51.2 | 110.8 | 132.9 | -54.2 | -62.3 | 0 | 0 | 0 | 122.8 | ||||
| 42 | D | 41.1 | Very low | 40.5 | Very low | 145 Ų | 145 | 160 Ų | 160 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | 14.2 | 124.2 | 129.5 | -86.4 | -78.3 | 0 | 0 | 0 | 119.5 | |||||
| 43 | F | 36.9 | Very low | 40.4 | Very low | 210 Ų | 210 | 160 Ų | 160 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -163.9 | 133.3 | 134.5 | -110.4 | -78.2 | 0 | 0 | 0 | 111.9 | ||||
| 44 | S | 44.7 | Very low | 40.6 | Very low | 105 Ų | 105 | 163.7 Ų | 163.7 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | 95.5 | 56.9 | 152 | -49.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 45 | K | 38.3 | Very low | 40.5 | Very low | 208 Ų | 208 | 165.1 Ų | 165.1 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | trans | -93.5 | 81.7 | 142 | -75.9 | 177.6 | -179.9 | 168.9 | 0 | 109.9 | ||||
| 46 | L | 47.4 | Very low | 40.1 | Very low | 160 Ų | 160 | 162.9 Ų | 162.9 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | trans | -142.4 | 104.5 | 171.2 | -108.5 | 103.9 | 0 | 0 | 0 | 114.6 | ||||
| 47 | K | 39.3 | Very low | 39.8 | Very low | 186 Ų | 186 | 162.7 Ų | 162.7 | 81% | 0.809 | 82% | 0.822 | S | S | * | * | trans | 19.7 | 125 | 133.6 | -63.7 | 174.6 | 173 | 173.6 | 0 | 118.5 | ||||
| 48 | K | 44.2 | Very low | 39.4 | Very low | 196 Ų | 196 | 164.6 Ų | 164.6 | 85% | 0.852 | 82% | 0.821 | S | S | * | * | 172.3 | 115.7 | 104.7 | -97.3 | 167.3 | 177.9 | 170.8 | 0 | 113 | |||||
| 49 | K | 35.3 | Very low | 38.8 | Very low | 215 Ų | 215 | 164.9 Ų | 164.9 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | trans | -58.8 | 129.5 | 152.7 | -79.8 | 172.4 | 169.5 | 175 | 0 | 108.8 | ||||
| 50 | K | 39.7 | Very low | 38.7 | Very low | 202 Ų | 202 | 168.1 Ų | 168.1 | 88% | 0.878 | 83% | 0.832 | S | S | * | * | trans | -125.5 | 117.9 | 164.3 | -111.8 | -176.9 | 176.2 | -176.9 | 0 | 110.1 | ||||
| 51 | K | 34.7 | Very low | 37.9 | Very low | 206 Ų | 206 | 167.2 Ų | 167.2 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 142.3 | 166.8 | -82.3 | 172.3 | 164.6 | -180 | 0 | 109.8 | ||
| 52 | K | 42.4 | Very low | 37.4 | Very low | 205 Ų | 205 | 164.7 Ų | 164.7 | 89% | 0.891 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 131.8 | 160.6 | -83.3 | -178.8 | 173.1 | -177.4 | 0 | 109 | ||
| 53 | P | 32.1 | Very low | 37.2 | Very low | 124 Ų | 124 | 163.7 Ų | 163.7 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -84 | 145.5 | 166.5 | 32.5 | -28.6 | 0 | 0 | 0 | 110.9 | ||
| 54 | Q | 36 | Very low | 36.9 | Very low | 195 Ų | 195 | 161.3 Ų | 161.3 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 141.7 | 170 | -71.7 | 169.4 | -29 | 0 | 0 | 109.3 | ||
| 55 | L | 34.1 | Very low | 36.6 | Very low | 162 Ų | 162 | 160.1 Ų | 160.1 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | trans | -114.5 | 102.6 | 173.9 | -157.3 | 131.8 | 0 | 0 | 0 | 106.8 | ||||
| 56 | N | 30.7 | Very low | 36.1 | Very low | 139 Ų | 139 | 155.2 Ų | 155.2 | 74% | 0.743 | 82% | 0.824 | S | S | * | * | trans | -83.9 | 128.4 | 166.8 | -103.2 | 9.2 | 0 | 0 | 0 | 107.5 | ||||
| 57 | L | 33.9 | Very low | 35.3 | Very low | 163 Ų | 163 | 152.8 Ų | 152.8 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -122.7 | 97.3 | 167.6 | -174 | 67.5 | 0 | 0 | 0 | 106.7 | ||||
| 58 | E | 34.1 | Very low | 35.2 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | trans | -117.3 | 147.3 | 167.4 | -70.1 | -177.3 | 123.7 | 0 | 0 | 108 | ||||
| 59 | T | 31.6 | Very low | 34.4 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 66% | 0.663 | 83% | 0.828 | S | S | * | * | trans | 85.3 | 95.7 | 158.9 | -34.9 | 0 | 0 | 0 | 0 | 117.4 | D61 | T59-D61 WeakPolarHBondContact CG2-OD2 3.32Š| ||
| 60 | V | 39 | Very low | 34.3 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -128.2 | 112.8 | 141.9 | -75.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 61 | D | 35.9 | Very low | 34 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | trans | -76.8 | 149.5 | -179.9 | -70.6 | -71.6 | 0 | 0 | 0 | 113.1 | T59 | T59-D61 WeakPolarHBondContact CG2-OD2 3.32Š| ||
| 62 | X | 34.9 | Very low | 33.8 | Very low | 83 Ų | 83 | 128.2 Ų | 128.2 | 69% | 0.686 | 81% | 0.812 | S | S | * | * | trans | 14.5 | 132.6 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 63 | T | 35.3 | Very low | 33.3 | Very low | 124 Ų | 124 | 122.8 Ų | 122.8 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | 174.6 | 124.8 | 103.9 | 32.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 64 | D | 31.5 | Very low | 33.3 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | 36.8 | 126.3 | 137.8 | -52.4 | -58.2 | 0 | 0 | 0 | 122.2 | ||||
| 65 | G | 37.5 | Very low | 33.2 | Very low | 80 Ų | 80 | 118.9 Ų | 118.9 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -178.6 | 75.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 66 | A | 28.4 | Very low | 33.2 | Very low | 105 Ų | 105 | 116 Ų | 116 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | -70.5 | 138.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 67 | A | 30.6 | Very low | 33.6 | Very low | 110 Ų | 110 | 116.2 Ų | 116.2 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | 151.4 | 135.2 | 138.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 68 | G | 37 | Very low | 33.9 | Very low | 80 Ų | 80 | 116.8 Ų | 116.8 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 137.3 | 69.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 69 | S | 28.3 | Very low | 34.3 | Very low | 121 Ų | 121 | 114.3 Ų | 114.3 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -64.5 | 139.6 | 155.6 | 56.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 70 | A | 33.6 | Very low | 34.9 | Very low | 94 Ų | 94 | 115.6 Ų | 115.6 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | trans | 166.5 | 140.4 | 131.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 71 | A | 32.9 | Very low | 35.9 | Very low | 92 Ų | 92 | 113.4 Ų | 113.4 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | 66.5 | 107.1 | 150.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 72 | A | 29.7 | Very low | 37.3 | Very low | 101 Ų | 101 | 114 Ų | 114 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | 57.3 | 103.5 | 77.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 73 | A | 33.1 | Very low | 39.5 | Very low | 91 Ų | 91 | 115.5 Ų | 115.5 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | 167.6 | 127.9 | 136.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 74 | D | 30.7 | Very low | 41.9 | Very low | 143 Ų | 143 | 112.2 Ų | 112.2 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | 59 | 94 | 144 | -66.6 | -26.7 | 0 | 0 | 0 | 120.5 | T76 | D74-T76 VanDerWaalsContact C-N 3.25Å; D74-T76 VanDerWaalsContact O-CB 3.32Å; D74-T76 WeakPolarHBondContact O-CB 3.25Å; D74-T76 PolarHBondContact O-N 2.89Å; D74-T76 PolarHBondContact O-OG1 2.99Å | ||
| 75 | G | 34.5 | Very low | 44.8 | Very low | 95 Ų | 95 | 113.1 Ų | 113.1 | 98% | 0.979 | 77% | 0.765 | S | S | * | * | 61.6 | 16.5 | 117.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 76 | T | 33.6 | Very low | 47.4 | Very low | 102 Ų | 102 | 115.9 Ų | 115.9 | 63% | 0.626 | 76% | 0.756 | S | S | * | * | trans | -114.9 | 100 | -166.3 | -62.8 | 0 | 0 | 0 | 0 | 110.9 | D74 E78 | D74-T76 VanDerWaalsContact C-N 3.25Å; D74-T76 VanDerWaalsContact O-CB 3.32Å; D74-T76 WeakPolarHBondContact O-CB 3.25Å; D74-T76 PolarHBondContact O-N 2.89Å; D74-T76 PolarHBondContact O-OG1 2.99Å; T76-E78 VanDerWaalsContact O-CG 3.25Å; T76-E78 WeakPolarHBondContact O-CG 3.33Å; T76-E78 PolarHBondContact O-N 3.06Å; T76-E78 VanDerWaalsContact O-N 3.15Å | ||
| 77 | V | 39.5 | Very low | 50.4 | Low | 142 Ų | 142 | 115 Ų | 115 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | trans | 49.1 | 55.6 | 145.5 | -159.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 78 | E | 40.3 | Very low | 53.3 | Low | 176 Ų | 176 | 113.8 Ų | 113.8 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | trans | -109.6 | 86.1 | 179 | -58.8 | -170.1 | 157.9 | 0 | 0 | 111.5 | T76 | T76-E78 VanDerWaalsContact O-CG 3.25Å; T76-E78 WeakPolarHBondContact O-CG 3.33Å; T76-E78 PolarHBondContact O-N 3.06Å; T76-E78 VanDerWaalsContact O-N 3.15Å | ||
| 79 | T | 42.8 | Very low | 56 | Low | 104 Ų | 104 | 112.8 Ų | 112.8 | 64% | 0.638 | 69% | 0.687 | S | S | * | * | trans | -152.2 | 0.4 | 165.1 | 8.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 80 | C | 43.7 | Very low | 59 | Low | 135 Ų | 135 | 113.1 Ų | 113.1 | 91% | 0.912 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -90.7 | 1 | -171.9 | -88.3 | 0 | 0 | 0 | 0 | 115.9 | ||
| 81 | S | 61.2 | Low | 61.7 | Low | 106 Ų | 106 | 114.6 Ų | 114.6 | 74% | 0.741 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -131.2 | 0.9 | -167.9 | 35.6 | 0 | 0 | 0 | 0 | 117.5 | ||
| 82 | L | 64.8 | Low | 64.4 | Low | 152 Ų | 152 | 113.4 Ų | 113.4 | 80% | 0.796 | 64% | 0.644 | S | S | * | * | trans | -132 | 34.2 | -168.8 | -60.4 | 178.7 | 0 | 0 | 0 | 116.8 | ||||
| 83 | Y | 80.2 | Confident | 67.2 | Low | 114 Ų | 114 | 114.4 Ų | 114.4 | 45% | 0.447 | 63% | 0.627 | S | S | . | * | trans | -90.6 | 114.4 | 166.5 | -64.5 | -60.9 | 0 | 0 | 0 | 110.5 | L88 R91 | Y83-L88 HydrophobicContact CG-CD1 4.44Å; Y83-R91 VanDerWaalsContact CE1-CZ 3.44Å; Y83-R91 VanDerWaalsContact CZ-NH1 3.32Å | ||
| 84 | S | 87.1 | Confident | 69.8 | Low | 54 Ų | 54 | 111.9 Ų | 111.9 | 38% | 0.378 | 61% | 0.606 | S | S | . | * | trans | -67.8 | 144.8 | 171.9 | 86.7 | 0 | 0 | 0 | 0 | 109.8 | E86 Q87 L88 | S84-E86 PolarHBondContact O-N 3.38Å; S84-Q87 WeakPolarHBondContact O-CB 3.43Å; S84-Q87 PolarHBondContact O-N 3.22Å; S84-Q87 WeakPolarHBondContact OG-CG 3.15Å; S84-Q87 PolarHBondContact OG-N 3.48Å; S84-L88 WeakPolarHBondContact O-CD1 3.44Å; S84-L88 PolarHBondContact O-N 3.25Å; S84-L88 VanDerWaalsContact O-N 3.17Å | ||
| 85 | Y | 92.1 | Very high | 72.5 | Confident | 179 Ų | 179 | 109 Ų | 109 | 70% | 0.702 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -48.5 | -39.8 | 178.6 | 172 | -103.9 | 0 | 0 | 0 | 112.6 | Q87 L88 L89 | Y85-Q87 PolarHBondContact O-N 3.44Å; Y85-L88 PolarHBondContact O-N 3.09Å; Y85-L89 HydrophobicContact CE1-CD2 4.19Å; Y85-L89 WeakPolarHBondContact O-CB 3.43Å; Y85-L89 PolarHBondContact O-N 2.96Å |
| 86 | E | 91.9 | Very high | 74.8 | Confident | 137 Ų | 137 | 108.9 Ų | 108.9 | 64% | 0.64 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.3 | -41.4 | 177.6 | -59.3 | -171.5 | 163.1 | 0 | 0 | 112.6 | S84 L89 Q90 | S84-E86 PolarHBondContact O-N 3.38Å; E86-L89 PolarHBondContact O-N 3.41Å; E86-Q90 VanDerWaalsContact O-CG 3.31Å; E86-Q90 WeakPolarHBondContact O-CG 3.35Å; E86-Q90 PolarHBondContact O-N 2.93Å |
| 87 | Q | 90.9 | Very high | 77.1 | Confident | 87 Ų | 87 | 111.1 Ų | 111.1 | 41% | 0.407 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.2 | -41.5 | 177.1 | -70 | 175.2 | 1.4 | 0 | 0 | 111.9 | S84 Y85 L89 Q90 R91 | S84-Q87 WeakPolarHBondContact O-CB 3.43Å; S84-Q87 PolarHBondContact O-N 3.22Å; S84-Q87 WeakPolarHBondContact OG-CG 3.15Å; S84-Q87 PolarHBondContact OG-N 3.48Å; Y85-Q87 PolarHBondContact O-N 3.44Å; Q87-L89 VanDerWaalsContact C-N 3.31Å; Q87-L89 PolarHBondContact O-N 3.24Å; Q87-Q90 PolarHBondContact O-N 3.48Å; Q87-R91 WeakPolarHBondContact O-CG 3.31Å; Q87-R91 PolarHBondContact O-N 3.31Å; Q87-R91 VanDerWaalsContact O-N 3.09Å |
| 88 | L | 92.1 | Very high | 79.2 | Confident | 85 Ų | 85 | 111.5 Ų | 111.5 | 45% | 0.445 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.3 | -42.7 | 174.1 | -73.2 | 93.2 | 0 | 0 | 0 | 110.7 | Y83 S84 Y85 R91 V92 | Y83-L88 HydrophobicContact CG-CD1 4.44Å; S84-L88 WeakPolarHBondContact O-CD1 3.44Å; S84-L88 PolarHBondContact O-N 3.25Å; S84-L88 VanDerWaalsContact O-N 3.17Å; Y85-L88 PolarHBondContact O-N 3.09Å; L88-R91 WeakPolarHBondContact O-CB 3.48Å; L88-R91 PolarHBondContact O-N 2.96Å; L88-V92 WeakPolarHBondContact O-CG2 3.19Å; L88-V92 PolarHBondContact O-N 3.41Å |
| 89 | L | 92.7 | Very high | 81 | Confident | 58 Ų | 58 | 109.9 Ų | 109.9 | 30% | 0.304 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | -179 | -174.3 | 61 | 0 | 0 | 0 | 111.7 | Y85 E86 Q87 R91 V92 Y93 | Y85-L89 HydrophobicContact CE1-CD2 4.19Å; Y85-L89 WeakPolarHBondContact O-CB 3.43Å; Y85-L89 PolarHBondContact O-N 2.96Å; E86-L89 PolarHBondContact O-N 3.41Å; Q87-L89 VanDerWaalsContact C-N 3.31Å; Q87-L89 PolarHBondContact O-N 3.24Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.48Å; L89-V92 PolarHBondContact O-N 3.14Å; L89-Y93 HydrophobicContact CD1-CD2 3.96Å; L89-Y93 HydrophobicContact CD1-CE2 3.41Å; L89-Y93 VanDerWaalsContact CD1-CE2 3.41Å; L89-Y93 HydrophobicContact CD2-CE2 4.05Å; L89-Y93 HydrophobicContact CG-CD2 3.85Å; L89-Y93 HydrophobicContact CG-CE2 3.49Å; L89-Y93 VanDerWaalsContact CG-CE2 3.49Å; L89-Y93 WeakPolarHBondContact O-CD2 3.48Å; L89-Y93 PolarHBondContact O-N 3.35Å |
| 90 | Q | 91.4 | Very high | 82.5 | Confident | 129 Ų | 129 | 106 Ų | 106 | 60% | 0.603 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.8 | -42 | 174.7 | -74 | 175.3 | 2.4 | 0 | 0 | 111.9 | E86 Q87 Y93 A94 | E86-Q90 VanDerWaalsContact O-CG 3.31Å; E86-Q90 WeakPolarHBondContact O-CG 3.35Å; E86-Q90 PolarHBondContact O-N 2.93Å; Q87-Q90 PolarHBondContact O-N 3.48Å; Q90-Y93 PolarHBondContact O-N 2.91Å; Q90-A94 PolarHBondContact O-N 3.49Å |
| 91 | R | 90.5 | Very high | 84.1 | Confident | 124 Ų | 124 | 103 Ų | 103 | 47% | 0.468 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 174.8 | -72 | 174.2 | -178.7 | -171.5 | -1.9 | 112.2 | Y83 Q87 L88 L89 Y93 A94 I95 | Y83-R91 VanDerWaalsContact CE1-CZ 3.44Å; Y83-R91 VanDerWaalsContact CZ-NH1 3.32Å; Q87-R91 WeakPolarHBondContact O-CG 3.31Å; Q87-R91 PolarHBondContact O-N 3.31Å; Q87-R91 VanDerWaalsContact O-N 3.09Å; L88-R91 WeakPolarHBondContact O-CB 3.48Å; L88-R91 PolarHBondContact O-N 2.96Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.48Å; R91-Y93 PolarHBondContact O-N 2.98Å; R91-A94 WeakPolarHBondContact O-CB 3.38Å; R91-A94 PolarHBondContact O-N 3.01Å; R91-I95 WeakPolarHBondContact O-CG1 3.16Å; R91-I95 PolarHBondContact O-N 3.05Å |
| 92 | V | 89.7 | Confident | 84.4 | Confident | 68 Ų | 68 | 101.6 Ų | 101.6 | 41% | 0.412 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 177.4 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | L88 L89 A94 I95 M96 | L88-V92 WeakPolarHBondContact O-CG2 3.19Å; L88-V92 PolarHBondContact O-N 3.41Å; L89-V92 PolarHBondContact O-N 3.14Å; V92-A94 VanDerWaalsContact C-N 3.33Å; V92-A94 PolarHBondContact O-N 3.17Å; V92-I95 PolarHBondContact O-N 3.05Å; V92-M96 HydrophobicContact CG1-CE 3.98Å; V92-M96 HydrophobicContact CG1-CG 4.34Å; V92-M96 HydrophobicContact CG1-SD 4.27Å; V92-M96 WeakPolarHBondContact O-CB 3.33Å; V92-M96 WeakPolarHBondContact O-CG 3.36Å; V92-M96 PolarHBondContact O-N 3.35Å |
| 93 | Y | 87.8 | Confident | 84.6 | Confident | 122 Ų | 122 | 98.9 Ų | 98.9 | 48% | 0.478 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.9 | -31.3 | 176.5 | -75.3 | -59.9 | 0 | 0 | 0 | 113.4 | L89 Q90 R91 R97 | L89-Y93 HydrophobicContact CD1-CD2 3.96Å; L89-Y93 HydrophobicContact CD1-CE2 3.41Å; L89-Y93 VanDerWaalsContact CD1-CE2 3.41Å; L89-Y93 HydrophobicContact CD2-CE2 4.05Å; L89-Y93 HydrophobicContact CG-CD2 3.85Å; L89-Y93 HydrophobicContact CG-CE2 3.49Å; L89-Y93 VanDerWaalsContact CG-CE2 3.49Å; L89-Y93 WeakPolarHBondContact O-CD2 3.48Å; L89-Y93 PolarHBondContact O-N 3.35Å; Q90-Y93 PolarHBondContact O-N 2.91Å; R91-Y93 PolarHBondContact O-N 2.98Å; Y93-R97 WeakPolarHBondContact O-CB 3.31Å; Y93-R97 WeakPolarHBondContact O-CG 3.18Å; Y93-R97 PolarHBondContact O-N 2.86Å; Y93-R97 VanDerWaalsContact O-N 3.08Å; Y93-R97 PolarHBondContact O-NE 3.08Å; Y93-R97 VanDerWaalsContact O-NE 3.17Å |
| 94 | A | 88.2 | Confident | 83.9 | Confident | 37 Ų | 37 | 96.9 Ų | 96.9 | 31% | 0.306 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.8 | -52.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q90 R91 V92 M96 R97 E98 | Q90-A94 PolarHBondContact O-N 3.49Å; R91-A94 WeakPolarHBondContact O-CB 3.38Å; R91-A94 PolarHBondContact O-N 3.01Å; V92-A94 VanDerWaalsContact C-N 3.33Å; V92-A94 PolarHBondContact O-N 3.17Å; A94-M96 VanDerWaalsContact C-N 3.32Å; A94-M96 PolarHBondContact O-N 2.82Å; A94-R97 PolarHBondContact O-N 3.43Å; A94-R97 VanDerWaalsContact O-N 3.14Å; A94-E98 WeakPolarHBondContact O-CG 2.84Å; A94-E98 PolarHBondContact O-N 2.86Å |
| 95 | I | 87 | Confident | 83.1 | Confident | 83 Ų | 83 | 99 Ų | 99 | 43% | 0.426 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 178.9 | -63.7 | 165.4 | 0 | 0 | 0 | 111.5 | R91 V92 E98 K99 | R91-I95 WeakPolarHBondContact O-CG1 3.16Å; R91-I95 PolarHBondContact O-N 3.05Å; V92-I95 PolarHBondContact O-N 3.05Å; I95-E98 PolarHBondContact O-N 3.46Å; I95-K99 HydrophobicContact CG2-CD 3.94Å; I95-K99 HydrophobicContact CG2-CG 4.43Å; I95-K99 PolarHBondContact O-N 3Å |
| 96 | M | 83.5 | Confident | 81.9 | Confident | 93 Ų | 93 | 93.2 Ų | 93.2 | 46% | 0.458 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 177.3 | -78.7 | -167.4 | 176.6 | 0 | 0 | 112.2 | V92 A94 N100 | V92-M96 HydrophobicContact CG1-CE 3.98Å; V92-M96 HydrophobicContact CG1-CG 4.34Å; V92-M96 HydrophobicContact CG1-SD 4.27Å; V92-M96 WeakPolarHBondContact O-CB 3.33Å; V92-M96 WeakPolarHBondContact O-CG 3.36Å; V92-M96 PolarHBondContact O-N 3.35Å; A94-M96 VanDerWaalsContact C-N 3.32Å; A94-M96 PolarHBondContact O-N 2.82Å; M96-N100 CarbonylContact O-C 3.49Å; M96-N100 VanDerWaalsContact O-C 3.25Å; M96-N100 WeakPolarHBondContact O-CA 3.42Å; M96-N100 PolarHBondContact O-N 2.79Å |
| 97 | R | 82.7 | Confident | 80.6 | Confident | 148 Ų | 148 | 93.6 Ų | 93.6 | 56% | 0.558 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.4 | -39.8 | 175.4 | -80.8 | -177.8 | -77.6 | -153.8 | 2 | 112.1 | Y93 A94 V104 | Y93-R97 WeakPolarHBondContact O-CB 3.31Å; Y93-R97 WeakPolarHBondContact O-CG 3.18Å; Y93-R97 PolarHBondContact O-N 2.86Å; Y93-R97 VanDerWaalsContact O-N 3.08Å; Y93-R97 PolarHBondContact O-NE 3.08Å; Y93-R97 VanDerWaalsContact O-NE 3.17Å; A94-R97 PolarHBondContact O-N 3.43Å; A94-R97 VanDerWaalsContact O-N 3.14Å; R97-V104 HydrophobicContact CG-CB 4.16Å; R97-V104 HydrophobicContact CG-CG1 3.9Å; R97-V104 HydrophobicContact CG-CG2 3.74Å |
| 98 | E | 83.3 | Confident | 79.3 | Confident | 150 Ų | 150 | 97.4 Ų | 97.4 | 70% | 0.701 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.9 | -48.1 | 177.7 | -71.8 | 170.1 | -169.6 | 0 | 0 | 112.2 | A94 I95 | A94-E98 WeakPolarHBondContact O-CG 2.84Å; A94-E98 PolarHBondContact O-N 2.86Å; I95-E98 PolarHBondContact O-N 3.46Å |
| 99 | K | 78.3 | Confident | 77.9 | Confident | 142 Ų | 142 | 100.6 Ų | 100.6 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -82.2 | -36.2 | -175.3 | -66 | -177.1 | 179.6 | 179.8 | 0 | 113.2 | I95 | I95-K99 HydrophobicContact CG2-CD 3.94Å; I95-K99 HydrophobicContact CG2-CG 4.43Å; I95-K99 PolarHBondContact O-N 3Å |
| 100 | N | 74.1 | Confident | 76.7 | Confident | 23 Ų | 23 | 106.8 Ų | 106.8 | 12% | 0.123 | 53% | 0.526 | C | S | . | . | trans | -137.1 | 69.6 | -171.1 | -56.3 | -38.8 | 0 | 0 | 0 | 111.1 | M96 D102 L103 T213 | M96-N100 CarbonylContact O-C 3.49Å; M96-N100 VanDerWaalsContact O-C 3.25Å; M96-N100 WeakPolarHBondContact O-CA 3.42Å; M96-N100 PolarHBondContact O-N 2.79Å; N100-D102 PolarHBondContact O-N 2.92Å; N100-D102 VanDerWaalsContact O-N 3.16Å; N100-L103 HydrophobicContact CB-CB 4.14Å; N100-L103 HydrophobicContact CB-CD1 4.29Å; N100-L103 PolarHBondContact O-N 3.1Å; N100-L103 VanDerWaalsContact O-N 3.15Å; N100-T213 WeakPolarHBondContact OD1-CG2 3.34Å; N100-T213 PolarHBondContact OD1-O 3.03Å | ||
| 101 | P | 76.9 | Confident | 75.6 | Confident | 73 Ų | 73 | 104.2 Ų | 104.2 | 47% | 0.474 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.8 | -35.7 | 177.6 | 23.9 | -33.7 | 0 | 0 | 0 | 111.4 | L103 V104 T105 | P101-L103 VanDerWaalsContact C-N 3.3Å; P101-L103 PolarHBondContact O-N 2.77Å; P101-V104 PolarHBondContact O-N 2.81Å; P101-V104 VanDerWaalsContact O-N 3.16Å; P101-T105 PolarHBondContact O-N 3.03Å; P101-T105 PolarHBondContact O-OG1 2.87Å |
| 102 | D | 67.9 | Low | 74.8 | Confident | 75 Ų | 75 | 104.5 Ų | 104.5 | 40% | 0.401 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.3 | -26.9 | -178 | -67 | -16.3 | 0 | 0 | 0 | 114.3 | N100 K109 | N100-D102 PolarHBondContact O-N 2.92Å; N100-D102 VanDerWaalsContact O-N 3.16Å; D102-K109 WeakPolarHBondContact OD1-CE 3.38Å; D102-K109 IonicContact OD1-NZ 2.67Å; D102-K109 PolarHBondContact OD1-NZ 3.05Å; D102-K109 WeakPolarHBondContact OD2-CE 3.36Å; D102-K109 IonicContact OD2-NZ 2.8Å; D102-K109 PolarHBondContact OD2-NZ 2.81Å |
| 103 | L | 68.5 | Low | 74.2 | Confident | 95 Ų | 95 | 103.6 Ų | 103.6 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -76.5 | -32.1 | 176.6 | -101 | 78.6 | 0 | 0 | 0 | 111.7 | N100 P101 G106 C193 | N100-L103 HydrophobicContact CB-CB 4.14Å; N100-L103 HydrophobicContact CB-CD1 4.29Å; N100-L103 PolarHBondContact O-N 3.1Å; N100-L103 VanDerWaalsContact O-N 3.15Å; P101-L103 VanDerWaalsContact C-N 3.3Å; P101-L103 PolarHBondContact O-N 2.77Å; L103-G106 PolarHBondContact O-N 3.16Å; L103-C193 HydrophobicContact CD1-CB 4.16Å |
| 104 | V | 66.1 | Low | 74.1 | Confident | 72 Ų | 72 | 101.8 Ų | 101.8 | 44% | 0.436 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -77.2 | -33.6 | -174.4 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | R97 P101 G106 | R97-V104 HydrophobicContact CG-CB 4.16Å; R97-V104 HydrophobicContact CG-CG1 3.9Å; R97-V104 HydrophobicContact CG-CG2 3.74Å; P101-V104 PolarHBondContact O-N 2.81Å; P101-V104 VanDerWaalsContact O-N 3.16Å; V104-G106 PolarHBondContact O-N 3.17Å |
| 105 | T | 69 | Low | 74.1 | Confident | 98 Ų | 98 | 103.9 Ų | 103.9 | 60% | 0.601 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -11.7 | 176 | -49.5 | 0 | 0 | 0 | 0 | 112.7 | P101 E107 | P101-T105 PolarHBondContact O-N 3.03Å; P101-T105 PolarHBondContact O-OG1 2.87Å; T105-E107 HydrophobicContact CG2-CB 4.5Å; T105-E107 HydrophobicContact CG2-CG 4.26Å; T105-E107 PolarHBondContact O-N 3.34Å |
| 106 | G | 67.8 | Low | 74.2 | Confident | 59 Ų | 59 | 100.1 Ų | 100.1 | 61% | 0.608 | 51% | 0.506 | S | S | * | . | trans | 71.7 | -13.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L103 V104 K108 | L103-G106 PolarHBondContact O-N 3.16Å; V104-G106 PolarHBondContact O-N 3.17Å; G106-K108 PolarHBondContact O-N 3Å | ||
| 107 | E | 63.7 | Low | 74.6 | Confident | 144 Ų | 144 | 99.8 Ų | 99.8 | 67% | 0.673 | 50% | 0.504 | S | S | * | . | trans | -76.7 | 92.4 | 173.7 | -65.2 | -172.6 | 168.6 | 0 | 0 | 110.1 | T105 K109 | T105-E107 HydrophobicContact CG2-CB 4.5Å; T105-E107 HydrophobicContact CG2-CG 4.26Å; T105-E107 PolarHBondContact O-N 3.34Å; E107-K109 VanDerWaalsContact C-N 3.33Å; E107-K109 PolarHBondContact O-N 3.08Å | ||
| 108 | K | 64.2 | Low | 75.1 | Confident | 168 Ų | 168 | 94.5 Ų | 94.5 | 73% | 0.73 | 49% | 0.488 | S | S | * | . | trans | -57.7 | 99 | 165.8 | -65.8 | 169.3 | -173.9 | 157.7 | 0 | 107.8 | G106 K110 | G106-K108 PolarHBondContact O-N 3Å; K108-K110 PolarHBondContact O-N 3.16Å | ||
| 109 | K | 63.5 | Low | 75.5 | Confident | 151 Ų | 151 | 91.9 Ų | 91.9 | 66% | 0.657 | 48% | 0.478 | S | S | * | . | trans | -53.1 | 105.7 | 174.3 | -72.3 | -179.6 | -177.4 | 164.3 | 0 | 107.9 | D102 E107 F111 | D102-K109 WeakPolarHBondContact OD1-CE 3.38Å; D102-K109 IonicContact OD1-NZ 2.67Å; D102-K109 PolarHBondContact OD1-NZ 3.05Å; D102-K109 WeakPolarHBondContact OD2-CE 3.36Å; D102-K109 IonicContact OD2-NZ 2.8Å; D102-K109 PolarHBondContact OD2-NZ 2.81Å; E107-K109 VanDerWaalsContact C-N 3.33Å; E107-K109 PolarHBondContact O-N 3.08Å; K109-F111 PolarHBondContact O-N 3.29Å; K109-F111 VanDerWaalsContact O-N 3.12Å | ||
| 110 | K | 66.7 | Low | 76.1 | Confident | 189 Ų | 189 | 94.4 Ų | 94.4 | 82% | 0.822 | 48% | 0.484 | S | S | * | . | trans | -66.3 | 115.4 | 171.4 | -67.2 | 176.3 | -174.9 | 172.3 | 0 | 104.9 | K108 V112 | K108-K110 PolarHBondContact O-N 3.16Å; K110-V112 PolarHBondContact O-N 3.33Å | ||
| 111 | F | 69.3 | Low | 76.7 | Confident | 75 Ų | 75 | 96.7 Ų | 96.7 | 33% | 0.329 | 50% | 0.498 | S | S | . | . | trans | -57.1 | 108.3 | 174.1 | -177.6 | -100.8 | 0 | 0 | 0 | 108.8 | K109 M113 L137 L138 I184 A196 | K109-F111 PolarHBondContact O-N 3.29Å; K109-F111 VanDerWaalsContact O-N 3.12Å; F111-M113 HydrophobicContact CD1-CB 4.06Å; F111-M113 HydrophobicContact CE1-CB 3.99Å; F111-M113 HydrophobicContact CE1-CG 4.45Å; F111-M113 PolarHBondContact O-N 3.34Å; F111-L137 HydrophobicContact CE1-CD2 3.86Å; F111-L137 HydrophobicContact CE2-CD2 3.53Å; F111-L137 HydrophobicContact CZ-CD2 3.03Å; F111-L138 HydrophobicContact CE1-CD2 3.61Å; F111-L138 HydrophobicContact CZ-CD2 3.46Å; F111-L138 VanDerWaalsContact CZ-CD2 3.46Å; F111-L138 HydrophobicContact CZ-CG 4.38Å; F111-I184 HydrophobicContact CD1-CD1 4.26Å; F111-I184 HydrophobicContact CE1-CD1 4.19Å; F111-A196 HydrophobicContact CD2-CB 3.94Å; F111-A196 HydrophobicContact CE2-CB 4.18Å | ||
| 112 | V | 72.9 | Confident | 77.3 | Confident | 130 Ų | 130 | 96.1 Ų | 96.1 | 79% | 0.788 | 51% | 0.506 | S | S | * | . | trans | -81.1 | 102.7 | 178.3 | -177.4 | 0 | 0 | 0 | 0 | 106.9 | K110 | K110-V112 PolarHBondContact O-N 3.33Š| ||
| 113 | M | 78 | Confident | 78.4 | Confident | 48 Ų | 48 | 96 Ų | 96 | 24% | 0.236 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -92.3 | 140.1 | 176.6 | 180 | 174.7 | 164.3 | 0 | 0 | 109.9 | F111 I134 L180 I184 | F111-M113 HydrophobicContact CD1-CB 4.06Å; F111-M113 HydrophobicContact CE1-CB 3.99Å; F111-M113 HydrophobicContact CE1-CG 4.45Å; F111-M113 PolarHBondContact O-N 3.34Å; M113-I134 HydrophobicContact CE-CB 4.47Å; M113-I134 HydrophobicContact CE-CD1 3.67Å; M113-I134 HydrophobicContact CE-CG1 4.02Å; M113-I134 HydrophobicContact CE-CG2 3.62Å; M113-L180 HydrophobicContact CE-CB 4.05Å; M113-L180 HydrophobicContact CE-CD1 3.47Å; M113-L180 VanDerWaalsContact CE-CD1 3.47Å; M113-L180 HydrophobicContact CE-CD2 4.41Å; M113-L180 HydrophobicContact CE-CG 4.15Å; M113-L180 HydrophobicContact SD-CB 4.44Å; M113-I184 HydrophobicContact SD-CD1 3.76Å |
| 114 | K | 83.8 | Confident | 79.4 | Confident | 84 Ų | 84 | 99.4 Ų | 99.4 | 37% | 0.365 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 130.8 | 168.8 | -170.4 | 178.4 | 178.8 | -172 | 0 | 109.1 | E117 N130 E133 | K114-E117 IonicContact NZ-OE1 3.9Å; K114-N130 WeakPolarHBondContact CE-ND2 3.21Å; K114-N130 PolarHBondContact NZ-ND2 3.43Å; K114-E133 IonicContact NZ-OE1 3.85Å; K114-E133 IonicContact NZ-OE2 2.72Å; K114-E133 PolarHBondContact NZ-OE2 3.42Å |
| 115 | P | 88.1 | Confident | 80.6 | Confident | 81 Ų | 81 | 101.5 Ų | 101.5 | 53% | 0.526 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 140.7 | 179.6 | 24.7 | -33.7 | 0 | 0 | 0 | 110.7 | E117 | P115-E117 PolarHBondContact O-N 2.95Š|
| 116 | P | 90.6 | Very high | 81.8 | Confident | 4 Ų | 4 | 97 Ų | 97 | 3% | 0.026 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 119.4 | -176.6 | 26.1 | -31.8 | 0 | 0 | 0 | 110.7 | F128 Q173 F176 E177 L180 | P116-F128 HydrophobicContact CB-CD2 4.26Å; P116-F128 HydrophobicContact CB-CE2 3.37Å; P116-F128 HydrophobicContact CB-CZ 3.54Å; P116-Q173 HydrophobicContact CG-CG 3.98Å; P116-Q173 VanDerWaalsContact O-CG 3.26Å; P116-Q173 WeakPolarHBondContact O-CG 3.48Å; P116-Q173 PolarHBondContact O-NE2 3.16Å; P116-F176 HydrophobicContact CB-CB 4.3Å; P116-F176 HydrophobicContact CG-CB 4.2Å; P116-E177 HydrophobicContact CG-CB 4.45Å; P116-L180 HydrophobicContact CB-CD1 4.24Å; P116-L180 HydrophobicContact CG-CD1 4.44Å |
| 117 | E | 91.8 | Very high | 83.1 | Confident | 87 Ų | 87 | 94.1 Ų | 94.1 | 41% | 0.407 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 117.8 | 177.7 | -74.6 | 172.4 | -139.2 | 0 | 0 | 111 | K114 P115 F128 A129 N130 | K114-E117 IonicContact NZ-OE1 3.9Å; P115-E117 PolarHBondContact O-N 2.95Å; E117-F128 WeakPolarHBondContact O-CD2 3.42Å; E117-A129 HydrophobicContact CB-CB 4.32Å; E117-A129 PolarHBondContact O-N 3.46Å; E117-N130 WeakPolarHBondContact CG-ND2 3.44Å; E117-N130 PolarHBondContact OE1-ND2 3.12Å |
| 118 | V | 92.5 | Very high | 84.5 | Confident | 37 Ų | 37 | 87.3 Ų | 87.3 | 22% | 0.224 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 113.6 | -173.7 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | T126 A127 Q173 F176 | V118-T126 HydrophobicContact CG1-CG2 3.14Å; V118-A127 CarbonylContact C-O 3.25Å; V118-A127 WeakPolarHBondContact CA-O 3.44Å; V118-Q173 HydrophobicContact CG2-CB 4.26Å; V118-Q173 HydrophobicContact CG2-CG 4.37Å; V118-F176 HydrophobicContact CB-CE2 4.41Å; V118-F176 HydrophobicContact CG1-CD2 4.43Å; V118-F176 HydrophobicContact CG1-CE2 3.81Å; V118-F176 HydrophobicContact CG2-CD2 3.51Å; V118-F176 HydrophobicContact CG2-CE2 3.61Å; V118-F176 HydrophobicContact CG2-CG 4.31Å; V118-F176 HydrophobicContact CG2-CZ 4.46Å |
| 119 | L | 92 | Very high | 85.9 | Confident | 94 Ų | 94 | 80.1 Ų | 80.1 | 49% | 0.492 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 146.2 | 176.5 | -63.2 | 177.8 | 0 | 0 | 0 | 110.2 | A127 A129 | L119-A127 HydrophobicContact CB-CB 4.38Å; L119-A127 PolarHBondContact N-O 3.25Å; L119-A127 PolarHBondContact O-N 2.7Å; L119-A127 VanDerWaalsContact O-O 3.09Å; L119-A129 HydrophobicContact CD1-CB 4.25Å |
| 120 | R | 90.1 | Very high | 87.2 | Confident | 196 Ų | 196 | 73.5 Ų | 73.5 | 74% | 0.74 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 114.4 | 175.4 | -67.2 | -175.2 | -180 | 179.6 | 3 | 109.4 | G122 | R120-G122 PolarHBondContact O-N 2.73Å |
| 121 | V | 88.4 | Confident | 88.5 | Confident | 71 Ų | 71 | 64.6 Ų | 64.6 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | trans | -98.4 | 81.4 | 174.4 | -178.2 | 0 | 0 | 0 | 0 | 107.6 | K125 A127 | V121-K125 CarbonylContact C-O 3.59Å; V121-K125 PolarHBondContact N-O 3.09Å; V121-K125 VanDerWaalsContact N-O 3.15Å; V121-K125 WeakPolarHBondContact O-CB 3.32Å; V121-A127 HydrophobicContact CG2-CB 3.44Å; V121-A127 VanDerWaalsContact CG2-CB 3.44Å | ||
| 122 | G | 89.1 | Confident | 89.6 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 63% | 0.629 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 78.1 | -161.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R120 | R120-G122 PolarHBondContact O-N 2.73Š|
| 123 | S | 89.4 | Confident | 90.5 | Very high | 72 Ų | 72 | 59.8 Ų | 59.8 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -82.2 | -28.8 | -169.7 | 179.3 | 0 | 0 | 0 | 0 | 114 | R170 | S123-R170 WeakPolarHBondContact O-CG 3.44Å; S123-R170 PolarHBondContact O-NE 3.05Å; S123-R170 PolarHBondContact O-NH2 2.61Å; S123-R170 PolarHBondContact OG-NH2 3.19Å |
| 124 | K | 89.9 | Confident | 91.2 | Very high | 167 Ų | 167 | 57.7 Ų | 57.7 | 73% | 0.726 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -124 | 4.9 | -171.9 | -63.1 | -179.3 | -178 | 175.3 | 0 | 113.7 | G169 | K124-G169 PolarHBondContact O-N 2.93Š|
| 125 | K | 93 | Very high | 91.6 | Very high | 115 Ų | 115 | 53.9 Ų | 53.9 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 143.7 | 176.7 | -48.2 | 176.7 | 179.1 | 178.6 | 0 | 109.9 | V121 I166 M167 G169 | V121-K125 CarbonylContact C-O 3.59Å; V121-K125 PolarHBondContact N-O 3.09Å; V121-K125 VanDerWaalsContact N-O 3.15Å; V121-K125 WeakPolarHBondContact O-CB 3.32Å; K125-I166 HydrophobicContact CB-CG2 4.23Å; K125-I166 HydrophobicContact CD-CG2 4.25Å; K125-M167 WeakPolarHBondContact CA-O 3.4Å; K125-G169 CarbonylContact C-O 3.59Å |
| 126 | T | 94 | Very high | 91.8 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.2 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 107.4 | V118 M167 G169 F171 F176 | V118-T126 HydrophobicContact CG1-CG2 3.14Å; T126-M167 PolarHBondContact N-O 3.01Å; T126-M167 PolarHBondContact O-N 3.3Å; T126-G169 PolarHBondContact N-O 3.05Å; T126-G169 PolarHBondContact OG1-O 3.28Å; T126-F171 HydrophobicContact CG2-CB 4.32Å; T126-F171 PolarHBondContact OG1-N 3.45Å; T126-F171 VanDerWaalsContact OG1-N 3.15Å; T126-F176 HydrophobicContact CG2-CE2 4.15Å; T126-F176 HydrophobicContact CG2-CZ 4.35Å |
| 127 | A | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V118 L119 V121 L165 | V118-A127 CarbonylContact C-O 3.25Å; V118-A127 WeakPolarHBondContact CA-O 3.44Å; L119-A127 HydrophobicContact CB-CB 4.38Å; L119-A127 PolarHBondContact N-O 3.25Å; L119-A127 PolarHBondContact O-N 2.7Å; L119-A127 VanDerWaalsContact O-O 3.09Å; V121-A127 HydrophobicContact CG2-CB 3.44Å; V121-A127 VanDerWaalsContact CG2-CB 3.44Å; A127-L165 CarbonylContact C-O 3.58Å; A127-L165 WeakPolarHBondContact CA-O 3.27Å |
| 128 | F | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 104.7 | 172 | 178.4 | -166.4 | 0 | 0 | 0 | 107.6 | P116 E117 N130 F131 I134 Q164 L165 F176 L180 | P116-F128 HydrophobicContact CB-CD2 4.26Å; P116-F128 HydrophobicContact CB-CE2 3.37Å; P116-F128 HydrophobicContact CB-CZ 3.54Å; E117-F128 WeakPolarHBondContact O-CD2 3.42Å; F128-N130 HydrophobicContact CE2-CB 4.35Å; F128-F131 HydrophobicContact CD1-CB 4.02Å; F128-F131 AromaticContact CD1-CD2 3.88Å; F128-F131 HydrophobicContact CD1-CD2 3.88Å; F128-F131 HydrophobicContact CD1-CG 4.4Å; F128-F131 HydrophobicContact CE1-CB 4.32Å; F128-F131 AromaticContact CE1-CD2 3.85Å; F128-F131 HydrophobicContact CE1-CD2 3.85Å; F128-F131 HydrophobicContact CG-CB 4.26Å; F128-I134 HydrophobicContact CE2-CD1 3.8Å; F128-I134 HydrophobicContact CZ-CD1 3.41Å; F128-I134 VanDerWaalsContact CZ-CD1 3.41Å; F128-Q164 WeakPolarHBondContact O-CA 3.4Å; F128-L165 HydrophobicContact CB-CB 4.19Å; F128-L165 HydrophobicContact CD1-CD2 4.47Å; F128-L165 PolarHBondContact N-O 3.15Å; F128-L165 PolarHBondContact O-N 2.91Å; F128-F176 HydrophobicContact CB-CE1 4.1Å; F128-F176 HydrophobicContact CB-CZ 4.2Å; F128-F176 HydrophobicContact CD1-CD1 4Å; F128-F176 AromaticContact CD1-CE1 3.93Å; F128-F176 HydrophobicContact CD1-CE1 3.93Å; F128-F176 HydrophobicContact CE1-CD1 4.31Å; F128-F176 HydrophobicContact CG-CD1 4.5Å; F128-F176 HydrophobicContact CG-CE1 4.23Å; F128-L180 HydrophobicContact CE1-CD1 4.21Å; F128-L180 HydrophobicContact CZ-CD1 4.05Å |
| 129 | A | 92.5 | Very high | 91.7 | Very high | 18 Ų | 18 | 62.6 Ų | 62.6 | 15% | 0.149 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -49.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E117 L119 F131 | E117-A129 HydrophobicContact CB-CB 4.32Å; E117-A129 PolarHBondContact O-N 3.46Å; L119-A129 HydrophobicContact CD1-CB 4.25Å; A129-F131 PolarHBondContact O-N 2.86Å |
| 130 | N | 91.5 | Very high | 91.8 | Very high | 11 Ų | 11 | 59.1 Ų | 59.1 | 6% | 0.059 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 26.8 | -172.9 | -61.9 | -9.3 | 0 | 0 | 0 | 114.3 | K114 E117 F128 I134 | K114-N130 WeakPolarHBondContact CE-ND2 3.21Å; K114-N130 PolarHBondContact NZ-ND2 3.43Å; E117-N130 WeakPolarHBondContact CG-ND2 3.44Å; E117-N130 PolarHBondContact OE1-ND2 3.12Å; F128-N130 HydrophobicContact CE2-CB 4.35Å; N130-I134 HydrophobicContact CB-CD1 4.26Å; N130-I134 WeakPolarHBondContact O-CD1 3.45Å; N130-I134 WeakPolarHBondContact O-CG1 3.3Å; N130-I134 PolarHBondContact O-N 3.44Å |
| 131 | F | 93.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65 | -48.7 | -173.2 | 178.2 | -108 | 0 | 0 | 0 | 112.2 | F128 A129 E133 I134 C135 P142 V145 L146 L149 I159 L165 | F128-F131 HydrophobicContact CD1-CB 4.02Å; F128-F131 AromaticContact CD1-CD2 3.88Å; F128-F131 HydrophobicContact CD1-CD2 3.88Å; F128-F131 HydrophobicContact CD1-CG 4.4Å; F128-F131 HydrophobicContact CE1-CB 4.32Å; F128-F131 AromaticContact CE1-CD2 3.85Å; F128-F131 HydrophobicContact CE1-CD2 3.85Å; F128-F131 HydrophobicContact CG-CB 4.26Å; A129-F131 PolarHBondContact O-N 2.86Å; F131-E133 PolarHBondContact O-N 3.4Å; F131-I134 PolarHBondContact O-N 3.4Å; F131-C135 VanDerWaalsContact CZ-SG 3.59Å; F131-C135 PolarHBondContact O-N 2.8Å; F131-C135 PolarHBondContact O-SG 3.23Å; F131-P142 HydrophobicContact CE1-CB 3.86Å; F131-P142 HydrophobicContact CZ-CB 4.41Å; F131-V145 HydrophobicContact CE2-CB 4.15Å; F131-V145 HydrophobicContact CE2-CG1 3.76Å; F131-V145 HydrophobicContact CZ-CB 4.09Å; F131-V145 HydrophobicContact CZ-CG1 4.22Å; F131-L146 HydrophobicContact CZ-CB 4.19Å; F131-L149 HydrophobicContact CD2-CD1 4.14Å; F131-L149 HydrophobicContact CE2-CD1 3.62Å; F131-I159 HydrophobicContact CD1-CD1 4.5Å; F131-I159 HydrophobicContact CD1-CG1 4.4Å; F131-I159 HydrophobicContact CE1-CD1 3.83Å; F131-I159 HydrophobicContact CE1-CG1 4.07Å; F131-L165 HydrophobicContact CB-CB 3.97Å; F131-L165 HydrophobicContact CD1-CB 4.12Å; F131-L165 HydrophobicContact CD2-CB 4.23Å; F131-L165 HydrophobicContact CD2-CD2 4.03Å; F131-L165 HydrophobicContact CE2-CD2 4.08Å; F131-L165 HydrophobicContact CG-CB 3.83Å; F131-L165 HydrophobicContact CG-CD2 4.45Å |
| 132 | A | 92.4 | Very high | 92.2 | Very high | 14 Ų | 14 | 53.4 Ų | 53.4 | 12% | 0.116 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -39.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I134 C135 R136 D163 | A132-I134 VanDerWaalsContact C-N 3.33Å; A132-I134 PolarHBondContact O-N 3.08Å; A132-C135 PolarHBondContact O-N 2.67Å; A132-R136 VanDerWaalsContact O-CG 3.3Å; A132-R136 WeakPolarHBondContact O-CG 3.45Å; A132-R136 PolarHBondContact O-N 3.15Å; A132-D163 HydrophobicContact CB-CB 3.63Å |
| 133 | E | 92.2 | Very high | 92.3 | Very high | 89 Ų | 89 | 58.8 Ų | 58.8 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 176.5 | -64.2 | -178.1 | -179.8 | 0 | 0 | 111.6 | K114 F131 C135 R136 L137 | K114-E133 IonicContact NZ-OE1 3.85Å; K114-E133 IonicContact NZ-OE2 2.72Å; K114-E133 PolarHBondContact NZ-OE2 3.42Å; F131-E133 PolarHBondContact O-N 3.4Å; E133-C135 VanDerWaalsContact C-N 3.35Å; E133-C135 PolarHBondContact O-N 3.44Å; E133-R136 PolarHBondContact O-N 3.39Å; E133-L137 WeakPolarHBondContact O-CB 3.18Å; E133-L137 PolarHBondContact O-N 3.18Å |
| 134 | I | 92.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.7 | -39.7 | 179 | -71 | 164.6 | 0 | 0 | 0 | 110.8 | M113 F128 N130 F131 A132 R136 L137 L138 | M113-I134 HydrophobicContact CE-CB 4.47Å; M113-I134 HydrophobicContact CE-CD1 3.67Å; M113-I134 HydrophobicContact CE-CG1 4.02Å; M113-I134 HydrophobicContact CE-CG2 3.62Å; F128-I134 HydrophobicContact CE2-CD1 3.8Å; F128-I134 HydrophobicContact CZ-CD1 3.41Å; F128-I134 VanDerWaalsContact CZ-CD1 3.41Å; N130-I134 HydrophobicContact CB-CD1 4.26Å; N130-I134 WeakPolarHBondContact O-CD1 3.45Å; N130-I134 WeakPolarHBondContact O-CG1 3.3Å; N130-I134 PolarHBondContact O-N 3.44Å; F131-I134 PolarHBondContact O-N 3.4Å; A132-I134 VanDerWaalsContact C-N 3.33Å; A132-I134 PolarHBondContact O-N 3.08Å; I134-R136 PolarHBondContact O-N 3.25Å; I134-L137 PolarHBondContact O-N 3.21Å; I134-L138 HydrophobicContact CG2-CD1 3.75Å; I134-L138 HydrophobicContact CG2-CG 4.41Å; I134-L138 WeakPolarHBondContact O-CB 3.5Å; I134-L138 VanDerWaalsContact O-CG 3.24Å; I134-L138 WeakPolarHBondContact O-CG 3.39Å; I134-L138 PolarHBondContact O-N 3.43Å |
| 135 | C | 92.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.027 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -41 | 175.8 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | F131 A132 E133 L138 K139 R140 | F131-C135 VanDerWaalsContact CZ-SG 3.59Å; F131-C135 PolarHBondContact O-N 2.8Å; F131-C135 PolarHBondContact O-SG 3.23Å; A132-C135 PolarHBondContact O-N 2.67Å; E133-C135 VanDerWaalsContact C-N 3.35Å; E133-C135 PolarHBondContact O-N 3.44Å; C135-L138 PolarHBondContact O-N 3.13Å; C135-K139 PolarHBondContact O-N 2.94Å; C135-K139 VanDerWaalsContact O-N 3.15Å; C135-R140 PolarHBondContact O-N 3.49Å; C135-R140 VanDerWaalsContact O-N 3.12Å |
| 136 | R | 91.6 | Very high | 92.8 | Very high | 169 Ų | 169 | 44 Ų | 44 | 64% | 0.638 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -64.4 | -44.6 | 176.3 | -69.3 | 173.2 | -162.6 | 162.8 | 8.5 | 111.2 | A132 E133 I134 L138 K139 D163 | A132-R136 VanDerWaalsContact O-CG 3.3Å; A132-R136 WeakPolarHBondContact O-CG 3.45Å; A132-R136 PolarHBondContact O-N 3.15Å; E133-R136 PolarHBondContact O-N 3.39Å; I134-R136 PolarHBondContact O-N 3.25Å; R136-L138 VanDerWaalsContact C-N 3.32Å; R136-L138 PolarHBondContact O-N 3.1Å; R136-K139 PolarHBondContact O-N 3.08Å; R136-K139 VanDerWaalsContact O-N 3.08Å; R136-D163 IonicContact NH2-OD2 3.03Å; R136-D163 PolarHBondContact NH2-OD2 3.39Å |
| 137 | L | 91.4 | Very high | 92.7 | Very high | 83 Ų | 83 | 46 Ų | 46 | 44% | 0.435 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.8 | -39.2 | 178.4 | -161 | 161.2 | 0 | 0 | 0 | 111.7 | F111 E133 I134 K139 | F111-L137 HydrophobicContact CE1-CD2 3.86Å; F111-L137 HydrophobicContact CE2-CD2 3.53Å; F111-L137 HydrophobicContact CZ-CD2 3.03Å; E133-L137 WeakPolarHBondContact O-CB 3.18Å; E133-L137 PolarHBondContact O-N 3.18Å; I134-L137 PolarHBondContact O-N 3.21Å; L137-K139 VanDerWaalsContact C-N 3.26Å; L137-K139 PolarHBondContact O-N 2.87Å |
| 138 | L | 91 | Very high | 92.8 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -6.6 | 176.2 | -65.5 | 168.9 | 0 | 0 | 0 | 113.9 | F111 I134 C135 R136 R140 Y183 I184 V188 | F111-L138 HydrophobicContact CE1-CD2 3.61Å; F111-L138 HydrophobicContact CZ-CD2 3.46Å; F111-L138 VanDerWaalsContact CZ-CD2 3.46Å; F111-L138 HydrophobicContact CZ-CG 4.38Å; I134-L138 HydrophobicContact CG2-CD1 3.75Å; I134-L138 HydrophobicContact CG2-CG 4.41Å; I134-L138 WeakPolarHBondContact O-CB 3.5Å; I134-L138 VanDerWaalsContact O-CG 3.24Å; I134-L138 WeakPolarHBondContact O-CG 3.39Å; I134-L138 PolarHBondContact O-N 3.43Å; C135-L138 PolarHBondContact O-N 3.13Å; R136-L138 VanDerWaalsContact C-N 3.32Å; R136-L138 PolarHBondContact O-N 3.1Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 HydrophobicContact CB-CG 4.33Å; L138-R140 PolarHBondContact O-N 3.23Å; L138-Y183 HydrophobicContact CD1-CD1 4.4Å; L138-Y183 HydrophobicContact CD1-CE1 4.37Å; L138-I184 HydrophobicContact CD2-CD1 4.2Å; L138-I184 HydrophobicContact CD2-CG1 3.9Å; L138-V188 HydrophobicContact CD2-CG1 4.06Å; L138-V188 HydrophobicContact CD2-CG2 4.17Å |
| 139 | K | 91.6 | Very high | 92.8 | Very high | 137 Ų | 137 | 46.3 Ų | 46.3 | 60% | 0.596 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 47 | -174 | -54 | 171.8 | -174.4 | 170.5 | 0 | 111.7 | C135 R136 L137 D197 | C135-K139 PolarHBondContact O-N 2.94Å; C135-K139 VanDerWaalsContact O-N 3.15Å; R136-K139 PolarHBondContact O-N 3.08Å; R136-K139 VanDerWaalsContact O-N 3.08Å; L137-K139 VanDerWaalsContact C-N 3.26Å; L137-K139 PolarHBondContact O-N 2.87Å; K139-D197 IonicContact NZ-OD1 2.81Å; K139-D197 PolarHBondContact NZ-OD1 2.82Å |
| 140 | R | 92.9 | Very high | 92.8 | Very high | 21 Ų | 21 | 47 Ų | 47 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | trans | -128.2 | 153.2 | 180 | -68.3 | -64.9 | 178.2 | -91.3 | 1.9 | 111.9 | C135 L138 V145 Y183 Y187 V188 T198 | C135-R140 PolarHBondContact O-N 3.49Å; C135-R140 VanDerWaalsContact O-N 3.12Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 HydrophobicContact CB-CG 4.33Å; L138-R140 PolarHBondContact O-N 3.23Å; R140-V145 HydrophobicContact CB-CG2 4.09Å; R140-Y183 HydrophobicContact CG-CE1 4.46Å; R140-Y187 PolarHBondContact NE-O 2.88Å; R140-Y187 PolarHBondContact NH2-O 3.01Å; R140-V188 HydrophobicContact CG-CG2 4.47Å; R140-T198 PolarHBondContact NH1-O 3.39Å; R140-T198 PolarHBondContact NH2-O 3.13Å; R140-T198 VanDerWaalsContact NH2-O 3.09Å; R140-T198 PolarHBondContact NH2-OG1 3.11Å | ||
| 141 | T | 92.6 | Very high | 92.9 | Very high | 90 Ų | 90 | 47.6 Ų | 47.6 | 55% | 0.552 | 24% | 0.239 | S | C | * | . | trans | -70 | 135.8 | 176.2 | 61.5 | 0 | 0 | 0 | 0 | 110.2 | K143 H144 V145 | T141-K143 PolarHBondContact O-N 3.5Å; T141-H144 PolarHBondContact O-N 3.25Å; T141-H144 VanDerWaalsContact O-N 3.13Å; T141-H144 WeakPolarHBondContact OG1-CB 3.38Å; T141-V145 PolarHBondContact O-N 3.09Å | ||
| 142 | P | 93.6 | Very high | 92.9 | Very high | 56 Ų | 56 | 51.3 Ų | 51.3 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.3 | -30 | -177.2 | 23.7 | -33.3 | 0 | 0 | 0 | 112 | F131 H144 V145 L146 I159 | F131-P142 HydrophobicContact CE1-CB 3.86Å; F131-P142 HydrophobicContact CZ-CB 4.41Å; P142-H144 VanDerWaalsContact C-N 3.34Å; P142-H144 PolarHBondContact O-N 3.06Å; P142-V145 PolarHBondContact O-N 3.04Å; P142-L146 WeakPolarHBondContact O-CB 3.48Å; P142-L146 PolarHBondContact O-N 3.03Å; P142-I159 HydrophobicContact CB-CD1 4.21Å |
| 143 | K | 92.8 | Very high | 92.8 | Very high | 174 Ų | 174 | 52.1 Ų | 52.1 | 76% | 0.757 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.7 | -40.6 | 175.8 | -66.1 | -177.3 | 179.2 | 176.6 | 0 | 112.5 | T141 A147 | T141-K143 PolarHBondContact O-N 3.5Å; K143-A147 PolarHBondContact O-N 3.18Å; K143-A147 VanDerWaalsContact O-N 3.08Å |
| 144 | H | 93.7 | Very high | 92.7 | Very high | 16 Ų | 16 | 49.6 Ų | 49.6 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.6 | -46.3 | -179.4 | -174 | -93.3 | 0 | 0 | 0 | 111.5 | T141 P142 L146 A147 F148 Y183 Y187 I223 | T141-H144 PolarHBondContact O-N 3.25Å; T141-H144 VanDerWaalsContact O-N 3.13Å; T141-H144 WeakPolarHBondContact OG1-CB 3.38Å; P142-H144 VanDerWaalsContact C-N 3.34Å; P142-H144 PolarHBondContact O-N 3.06Å; H144-L146 VanDerWaalsContact C-N 3.32Å; H144-L146 PolarHBondContact O-N 2.94Å; H144-A147 PolarHBondContact O-N 2.98Å; H144-F148 PolarHBondContact O-N 2.94Å; H144-F148 VanDerWaalsContact O-N 3.14Å; H144-Y183 AromaticContact CE1-CE2 3.87Å; H144-Y183 AromaticContact ND1-CE2 3.65Å; H144-Y183 AromaticContact ND1-CZ 3.7Å; H144-Y183 PolarHBondContact ND1-OH 3.49Å; H144-Y187 AromaticContact CE1-CD1 3.45Å; H144-Y187 VanDerWaalsContact CE1-CD1 3.45Å; H144-Y187 WeakPolarHBondContact CE1-CD1 3.43Å; H144-Y187 AromaticContact CE1-CE1 3.75Å; H144-Y187 AromaticContact CE1-CG 3.92Å; H144-I223 WeakPolarHBondContact NE2-CD1 3.24Å; H144-I223 WeakPolarHBondContact O-CD1 3.34Å |
| 145 | V | 93.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 176.9 | -173.4 | 0 | 0 | 0 | 0 | 110.7 | F131 R140 T141 P142 F148 L149 Y183 | F131-V145 HydrophobicContact CE2-CB 4.15Å; F131-V145 HydrophobicContact CE2-CG1 3.76Å; F131-V145 HydrophobicContact CZ-CB 4.09Å; F131-V145 HydrophobicContact CZ-CG1 4.22Å; R140-V145 HydrophobicContact CB-CG2 4.09Å; T141-V145 PolarHBondContact O-N 3.09Å; P142-V145 PolarHBondContact O-N 3.04Å; V145-F148 PolarHBondContact O-N 3.49Å; V145-L149 HydrophobicContact CG1-CD1 4.15Å; V145-L149 HydrophobicContact CG1-CG 4.41Å; V145-L149 WeakPolarHBondContact O-CG 3.44Å; V145-L149 PolarHBondContact O-N 3.17Å; V145-Y183 HydrophobicContact CG2-CE1 3.88Å; V145-Y183 WeakPolarHBondContact CG2-OH 3.16Å |
| 146 | L | 93.9 | Very high | 92.4 | Very high | 28 Ų | 28 | 53.3 Ų | 53.3 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.9 | -50.6 | 176.2 | 177.6 | 65.3 | 0 | 0 | 0 | 111.4 | F131 P142 H144 F148 L149 L150 I159 L165 | F131-L146 HydrophobicContact CZ-CB 4.19Å; P142-L146 WeakPolarHBondContact O-CB 3.48Å; P142-L146 PolarHBondContact O-N 3.03Å; H144-L146 VanDerWaalsContact C-N 3.32Å; H144-L146 PolarHBondContact O-N 2.94Å; L146-F148 VanDerWaalsContact C-N 3.26Å; L146-F148 PolarHBondContact O-N 3.29Å; L146-L149 PolarHBondContact O-N 3.44Å; L146-L150 HydrophobicContact CD1-CD1 4.07Å; L146-L150 HydrophobicContact CD1-CD2 4.49Å; L146-L150 HydrophobicContact CD1-CG 4.12Å; L146-L150 HydrophobicContact CG-CD1 4.05Å; L146-L150 HydrophobicContact CG-CG 4.42Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.29Å; L146-L150 PolarHBondContact O-N 3.38Å; L146-I159 HydrophobicContact CD2-CD1 4Å; L146-I159 HydrophobicContact CD2-CG1 4.09Å; L146-L165 HydrophobicContact CD1-CD1 3.27Å; L146-L165 HydrophobicContact CD1-CD2 3.83Å; L146-L165 HydrophobicContact CD1-CG 4.19Å |
| 147 | A | 93.4 | Very high | 92.5 | Very high | 43 Ų | 43 | 46.3 Ų | 46.3 | 36% | 0.355 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.7 | -40.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K143 H144 A151 I223 | K143-A147 PolarHBondContact O-N 3.18Å; K143-A147 VanDerWaalsContact O-N 3.08Å; H144-A147 PolarHBondContact O-N 2.98Å; A147-A151 WeakPolarHBondContact O-CB 3.48Å; A147-A151 PolarHBondContact O-N 3.38Å; A147-I223 HydrophobicContact CB-CD1 4.17Å; A147-I223 HydrophobicContact CB-CG2 4.48Å |
| 148 | F | 94.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 177.1 | -175.4 | -98.7 | 0 | 0 | 0 | 112.4 | H144 V145 L146 L150 A151 E152 V179 K182 Y183 Y187 I223 | H144-F148 PolarHBondContact O-N 2.94Å; H144-F148 VanDerWaalsContact O-N 3.14Å; V145-F148 PolarHBondContact O-N 3.49Å; L146-F148 VanDerWaalsContact C-N 3.26Å; L146-F148 PolarHBondContact O-N 3.29Å; F148-L150 VanDerWaalsContact C-N 3.33Å; F148-L150 PolarHBondContact O-N 3.49Å; F148-A151 PolarHBondContact O-N 2.81Å; F148-E152 HydrophobicContact CD1-CG 4.2Å; F148-E152 HydrophobicContact CD2-CG 4.49Å; F148-E152 HydrophobicContact CE1-CG 3.72Å; F148-E152 HydrophobicContact CE2-CG 4.03Å; F148-E152 HydrophobicContact CZ-CG 3.63Å; F148-E152 PolarHBondContact O-N 3.07Å; F148-V179 HydrophobicContact CD1-CG1 3.97Å; F148-V179 HydrophobicContact CE1-CG1 3.65Å; F148-K182 HydrophobicContact CZ-CB 4.26Å; F148-Y183 HydrophobicContact CB-CD2 3.87Å; F148-Y183 HydrophobicContact CB-CE2 4.05Å; F148-Y183 AromaticContact CD1-CD2 3.44Å; F148-Y183 HydrophobicContact CD1-CD2 3.44Å; F148-Y183 VanDerWaalsContact CD1-CD2 3.44Å; F148-Y183 HydrophobicContact CD1-CE2 4.43Å; F148-Y183 AromaticContact CD1-CG 3.98Å; F148-Y183 HydrophobicContact CD1-CG 3.98Å; F148-Y183 HydrophobicContact CD2-CD2 4.08Å; F148-Y183 AromaticContact CE1-CD2 3.94Å; F148-Y183 HydrophobicContact CE1-CD2 3.94Å; F148-Y183 HydrophobicContact CE1-CG 4.21Å; F148-Y183 AromaticContact CG-CD2 3.51Å; F148-Y183 HydrophobicContact CG-CD2 3.51Å; F148-Y183 HydrophobicContact CG-CE2 4.15Å; F148-Y183 HydrophobicContact CG-CG 4.47Å; F148-Y183 HydrophobicContact CZ-CD2 4.44Å; F148-Y187 HydrophobicContact CD2-CD2 4.41Å; F148-Y187 AromaticContact CD2-CE2 3.63Å; F148-Y187 HydrophobicContact CD2-CE2 3.63Å; F148-Y187 HydrophobicContact CE2-CD2 4.39Å; F148-Y187 AromaticContact CE2-CE2 3.55Å; F148-Y187 HydrophobicContact CE2-CE2 3.55Å; F148-Y187 HydrophobicContact CZ-CE2 4.37Å; F148-I223 HydrophobicContact CB-CD1 3.81Å; F148-I223 HydrophobicContact CB-CG1 4.4Å; F148-I223 HydrophobicContact CD2-CG1 4.25Å |
| 149 | L | 93.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60 | -42.8 | 178.4 | -73.6 | 172.4 | 0 | 0 | 0 | 112 | F131 V145 L146 L153 L165 V179 L180 | F131-L149 HydrophobicContact CD2-CD1 4.14Å; F131-L149 HydrophobicContact CE2-CD1 3.62Å; V145-L149 HydrophobicContact CG1-CD1 4.15Å; V145-L149 HydrophobicContact CG1-CG 4.41Å; V145-L149 WeakPolarHBondContact O-CG 3.44Å; V145-L149 PolarHBondContact O-N 3.17Å; L146-L149 PolarHBondContact O-N 3.44Å; L149-L153 VanDerWaalsContact O-CB 3.3Å; L149-L153 WeakPolarHBondContact O-CB 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.39Å; L149-L153 PolarHBondContact O-N 2.89Å; L149-L165 HydrophobicContact CD1-CD2 3.71Å; L149-V179 HydrophobicContact CD2-CB 4.22Å; L149-V179 HydrophobicContact CD2-CG1 3.67Å; L149-L180 HydrophobicContact CD2-CD2 4.35Å |
| 150 | L | 93.2 | Very high | 92.6 | Very high | 33 Ų | 33 | 45.1 Ų | 45.1 | 17% | 0.173 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 178.6 | -64.4 | -179.3 | 0 | 0 | 0 | 112.1 | L146 F148 G154 T155 G157 | L146-L150 HydrophobicContact CD1-CD1 4.07Å; L146-L150 HydrophobicContact CD1-CD2 4.49Å; L146-L150 HydrophobicContact CD1-CG 4.12Å; L146-L150 HydrophobicContact CG-CD1 4.05Å; L146-L150 HydrophobicContact CG-CG 4.42Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.29Å; L146-L150 PolarHBondContact O-N 3.38Å; F148-L150 VanDerWaalsContact C-N 3.33Å; F148-L150 PolarHBondContact O-N 3.49Å; L150-G154 WeakPolarHBondContact O-CA 3.49Å; L150-G154 PolarHBondContact O-N 3.12Å; L150-T155 WeakPolarHBondContact CB-O 3.41Å; L150-T155 WeakPolarHBondContact CD2-O 3.36Å; L150-T155 PolarHBondContact O-N 2.84Å; L150-G157 VanDerWaalsContact CD2-N 3.34Å |
| 151 | A | 93.6 | Very high | 92.3 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 20% | 0.198 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.1 | -46.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A147 F148 I223 | A147-A151 WeakPolarHBondContact O-CB 3.48Å; A147-A151 PolarHBondContact O-N 3.38Å; F148-A151 PolarHBondContact O-N 2.81Å; A151-I223 HydrophobicContact CB-CG2 3.92Å |
| 152 | E | 92.8 | Very high | 92.1 | Very high | 80 Ų | 80 | 49 Ų | 49 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.6 | -38.9 | -179 | -77.1 | -74.4 | 134.6 | 0 | 0 | 113.1 | F148 G154 V179 K182 | F148-E152 HydrophobicContact CD1-CG 4.2Å; F148-E152 HydrophobicContact CD2-CG 4.49Å; F148-E152 HydrophobicContact CE1-CG 3.72Å; F148-E152 HydrophobicContact CE2-CG 4.03Å; F148-E152 HydrophobicContact CZ-CG 3.63Å; F148-E152 PolarHBondContact O-N 3.07Å; E152-G154 VanDerWaalsContact C-N 3.33Å; E152-V179 HydrophobicContact CB-CG1 3.65Å; E152-V179 HydrophobicContact CB-CG2 4.06Å; E152-V179 HydrophobicContact CG-CG1 3.91Å; E152-K182 WeakPolarHBondContact OE2-CD 3.5Å; E152-K182 IonicContact OE2-NZ 2.76Å; E152-K182 PolarHBondContact OE2-NZ 3.31Å |
| 153 | L | 91.4 | Very high | 91.8 | Very high | 31 Ų | 31 | 50.1 Ų | 50.1 | 16% | 0.162 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -82.9 | -12.7 | 178.9 | -65.2 | 176.5 | 0 | 0 | 0 | 112.9 | L149 T155 M167 F171 H175 F176 V179 | L149-L153 VanDerWaalsContact O-CB 3.3Å; L149-L153 WeakPolarHBondContact O-CB 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.39Å; L149-L153 PolarHBondContact O-N 2.89Å; L153-T155 VanDerWaalsContact C-N 3.28Å; L153-T155 PolarHBondContact O-N 3.28Å; L153-M167 HydrophobicContact CD1-CE 3.3Å; L153-M167 HydrophobicContact CD1-SD 3.79Å; L153-F171 HydrophobicContact CB-CE1 4.26Å; L153-F171 HydrophobicContact CB-CZ 4.07Å; L153-F171 HydrophobicContact CD1-CE1 4.36Å; L153-F171 HydrophobicContact CD1-CZ 4.35Å; L153-F171 HydrophobicContact CD2-CD1 4.18Å; L153-F171 HydrophobicContact CD2-CE1 3.88Å; L153-F171 HydrophobicContact CD2-CZ 4.5Å; L153-F171 HydrophobicContact CG-CE1 4.41Å; L153-H175 HydrophobicContact CD2-CB 4.46Å; L153-F176 HydrophobicContact CD1-CE1 4.5Å; L153-V179 HydrophobicContact CD2-CG2 3.89Å; L153-V179 HydrophobicContact CG-CG2 4.3Å |
| 154 | G | 89.7 | Confident | 91.7 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 38% | 0.381 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 34.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | L150 E152 | L150-G154 WeakPolarHBondContact O-CA 3.49Å; L150-G154 PolarHBondContact O-N 3.12Å; E152-G154 VanDerWaalsContact C-N 3.33Å |
| 155 | T | 89.1 | Confident | 91.7 | Very high | 29 Ų | 29 | 43.7 Ų | 43.7 | 18% | 0.178 | 28% | 0.28 | C | S | . | . | trans | -126.5 | 172 | -177.5 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | L150 L153 K168 F171 | L150-T155 WeakPolarHBondContact CB-O 3.41Å; L150-T155 WeakPolarHBondContact CD2-O 3.36Å; L150-T155 PolarHBondContact O-N 2.84Å; L153-T155 VanDerWaalsContact C-N 3.28Å; L153-T155 PolarHBondContact O-N 3.28Å; T155-K168 WeakPolarHBondContact CB-O 3.48Å; T155-K168 VanDerWaalsContact CG2-O 3.3Å; T155-K168 WeakPolarHBondContact CG2-O 3.43Å; T155-F171 HydrophobicContact CG2-CE2 3.82Å; T155-F171 HydrophobicContact CG2-CZ 3.49Å; T155-F171 VanDerWaalsContact CG2-CZ 3.49Å | ||
| 156 | S | 90.6 | Very high | 91.7 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 40% | 0.399 | 29% | 0.29 | S | S | . | . | trans | -110 | 144.6 | 170 | 49 | 0 | 0 | 0 | 0 | 109.9 | K168 | S156-K168 PolarHBondContact O-N 3.39Å; S156-K168 WeakPolarHBondContact OG-CD 3.2Å; S156-K168 PolarHBondContact OG-NZ 3.38Å | ||
| 157 | G | 92.1 | Very high | 91.7 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 23% | 0.227 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 162.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L150 I166 | L150-G157 VanDerWaalsContact CD2-N 3.34Å; G157-I166 CarbonylContact C-O 3.56Å; G157-I166 WeakPolarHBondContact CA-O 3.35Å |
| 158 | S | 93 | Very high | 91.6 | Very high | 73 Ų | 73 | 47.9 Ų | 47.9 | 51% | 0.51 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 151.1 | 179.2 | 56.4 | 0 | 0 | 0 | 0 | 109.4 | L165 I166 | S158-L165 WeakPolarHBondContact O-CD1 3.43Å; S158-I166 PolarHBondContact N-O 3.14Å; S158-I166 PolarHBondContact O-N 3.33Å |
| 159 | I | 93 | Very high | 91.4 | Very high | 63 Ų | 63 | 48.7 Ų | 48.7 | 32% | 0.323 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 129.2 | 171 | -60.1 | 165 | 0 | 0 | 0 | 107 | F131 P142 L146 | F131-I159 HydrophobicContact CD1-CD1 4.5Å; F131-I159 HydrophobicContact CD1-CG1 4.4Å; F131-I159 HydrophobicContact CE1-CD1 3.83Å; F131-I159 HydrophobicContact CE1-CG1 4.07Å; P142-I159 HydrophobicContact CB-CD1 4.21Å; L146-I159 HydrophobicContact CD2-CD1 4Å; L146-I159 HydrophobicContact CD2-CG1 4.09Å |
| 160 | D | 90.4 | Very high | 91.3 | Very high | 62 Ų | 62 | 57.4 Ų | 57.4 | 33% | 0.332 | 33% | 0.334 | S | S | . | . | trans | -79.5 | 162.7 | 174.1 | -173.5 | 39.1 | 0 | 0 | 0 | 110.9 | N162 D163 Q164 I166 | D160-N162 PolarHBondContact O-N 3Å; D160-N162 VanDerWaalsContact O-N 3.12Å; D160-N162 PolarHBondContact OD2-ND2 3.45Å; D160-D163 PolarHBondContact O-N 2.96Å; D160-D163 VanDerWaalsContact O-N 3.12Å; D160-Q164 WeakPolarHBondContact CB-O 3.42Å; D160-Q164 PolarHBondContact N-O 3.27Å; D160-I166 HydrophobicContact CB-CD1 3.86Å; D160-I166 HydrophobicContact CB-CG1 4.25Å | ||
| 161 | G | 86.8 | Confident | 91.2 | Very high | 75 Ų | 75 | 57.3 Ų | 57.3 | 77% | 0.773 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D163 | G161-D163 PolarHBondContact O-N 3.28Š|
| 162 | N | 87.9 | Confident | 91.1 | Very high | 119 Ų | 119 | 61.5 Ų | 61.5 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 18.9 | 177.6 | -58.1 | -50.6 | 0 | 0 | 0 | 114 | D160 Q164 | D160-N162 PolarHBondContact O-N 3Å; D160-N162 VanDerWaalsContact O-N 3.12Å; D160-N162 PolarHBondContact OD2-ND2 3.45Å; N162-Q164 HydrophobicContact CB-CG 4.23Å; N162-Q164 WeakPolarHBondContact O-CG 3.44Å; N162-Q164 PolarHBondContact O-N 3.22Å; N162-Q164 VanDerWaalsContact O-N 3.08Å |
| 163 | D | 87.4 | Confident | 91.1 | Very high | 78 Ų | 78 | 62 Ų | 62 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 62.3 | 13.6 | -178.1 | -84 | -16.5 | 0 | 0 | 0 | 114.9 | A132 R136 D160 G161 | A132-D163 HydrophobicContact CB-CB 3.63Å; R136-D163 IonicContact NH2-OD2 3.03Å; R136-D163 PolarHBondContact NH2-OD2 3.39Å; D160-D163 PolarHBondContact O-N 2.96Å; D160-D163 VanDerWaalsContact O-N 3.12Å; G161-D163 PolarHBondContact O-N 3.28Å |
| 164 | Q | 91.8 | Very high | 91.2 | Very high | 56 Ų | 56 | 68 Ų | 68 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -94.8 | 140.4 | 177.1 | -51.1 | -172 | 10.9 | 0 | 0 | 110.7 | F128 D160 N162 | F128-Q164 WeakPolarHBondContact O-CA 3.4Å; D160-Q164 WeakPolarHBondContact CB-O 3.42Å; D160-Q164 PolarHBondContact N-O 3.27Å; N162-Q164 HydrophobicContact CB-CG 4.23Å; N162-Q164 WeakPolarHBondContact O-CG 3.44Å; N162-Q164 PolarHBondContact O-N 3.22Å; N162-Q164 VanDerWaalsContact O-N 3.08Å |
| 165 | L | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 116.3 | 176.3 | 168.7 | 57.9 | 0 | 0 | 0 | 110.5 | A127 F128 F131 L146 L149 S158 M167 | A127-L165 CarbonylContact C-O 3.58Å; A127-L165 WeakPolarHBondContact CA-O 3.27Å; F128-L165 HydrophobicContact CB-CB 4.19Å; F128-L165 HydrophobicContact CD1-CD2 4.47Å; F128-L165 PolarHBondContact N-O 3.15Å; F128-L165 PolarHBondContact O-N 2.91Å; F131-L165 HydrophobicContact CB-CB 3.97Å; F131-L165 HydrophobicContact CD1-CB 4.12Å; F131-L165 HydrophobicContact CD2-CB 4.23Å; F131-L165 HydrophobicContact CD2-CD2 4.03Å; F131-L165 HydrophobicContact CE2-CD2 4.08Å; F131-L165 HydrophobicContact CG-CB 3.83Å; F131-L165 HydrophobicContact CG-CD2 4.45Å; L146-L165 HydrophobicContact CD1-CD1 3.27Å; L146-L165 HydrophobicContact CD1-CD2 3.83Å; L146-L165 HydrophobicContact CD1-CG 4.19Å; L149-L165 HydrophobicContact CD1-CD2 3.71Å; S158-L165 WeakPolarHBondContact O-CD1 3.43Å; L165-M167 HydrophobicContact CD1-CG 4.1Å; L165-M167 HydrophobicContact CD2-CG 4.13Å; L165-M167 HydrophobicContact CD2-SD 3.97Å; L165-M167 HydrophobicContact CG-CG 3.8Å; L165-M167 HydrophobicContact CG-SD 4.3Å |
| 166 | I | 93.9 | Very high | 91.5 | Very high | 42 Ų | 42 | 68.9 Ų | 68.9 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 120.6 | 174.3 | -57.1 | 174.4 | 0 | 0 | 0 | 109.2 | K125 G157 S158 D160 | K125-I166 HydrophobicContact CB-CG2 4.23Å; K125-I166 HydrophobicContact CD-CG2 4.25Å; G157-I166 CarbonylContact C-O 3.56Å; G157-I166 WeakPolarHBondContact CA-O 3.35Å; S158-I166 PolarHBondContact N-O 3.14Å; S158-I166 PolarHBondContact O-N 3.33Å; D160-I166 HydrophobicContact CB-CD1 3.86Å; D160-I166 HydrophobicContact CB-CG1 4.25Å |
| 167 | M | 93.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 144.5 | 177 | -53.3 | -168.1 | -40.2 | 0 | 0 | 111.4 | K125 T126 L153 L165 G169 F171 F176 | K125-M167 WeakPolarHBondContact CA-O 3.4Å; T126-M167 PolarHBondContact N-O 3.01Å; T126-M167 PolarHBondContact O-N 3.3Å; L153-M167 HydrophobicContact CD1-CE 3.3Å; L153-M167 HydrophobicContact CD1-SD 3.79Å; L165-M167 HydrophobicContact CD1-CG 4.1Å; L165-M167 HydrophobicContact CD2-CG 4.13Å; L165-M167 HydrophobicContact CD2-SD 3.97Å; L165-M167 HydrophobicContact CG-CG 3.8Å; L165-M167 HydrophobicContact CG-SD 4.3Å; M167-G169 PolarHBondContact O-N 3.17Å; M167-F171 HydrophobicContact CE-CB 4.49Å; M167-F171 HydrophobicContact CE-CD2 3.42Å; M167-F171 VanDerWaalsContact CE-CD2 3.42Å; M167-F171 HydrophobicContact CE-CE2 3.77Å; M167-F171 HydrophobicContact CE-CG 4.02Å; M167-F176 HydrophobicContact CE-CD1 4.24Å; M167-F176 HydrophobicContact CE-CE1 3.15Å; M167-F176 HydrophobicContact CE-CE2 4.08Å; M167-F176 HydrophobicContact CE-CZ 3.08Å; M167-F176 HydrophobicContact SD-CE1 3.72Å; M167-F176 HydrophobicContact SD-CZ 4.14Å |
| 168 | K | 91.5 | Very high | 91.6 | Very high | 117 Ų | 117 | 71.6 Ų | 71.6 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 121.8 | 170.8 | -62 | -176.9 | -165.2 | 157.2 | 0 | 108.9 | T155 S156 | T155-K168 WeakPolarHBondContact CB-O 3.48Å; T155-K168 VanDerWaalsContact CG2-O 3.3Å; T155-K168 WeakPolarHBondContact CG2-O 3.43Å; S156-K168 PolarHBondContact O-N 3.39Å; S156-K168 WeakPolarHBondContact OG-CD 3.2Å; S156-K168 PolarHBondContact OG-NZ 3.38Å |
| 169 | G | 90.3 | Very high | 91.7 | Very high | 23 Ų | 23 | 68.5 Ų | 68.5 | 24% | 0.237 | 35% | 0.352 | C | S | . | . | S | Bend | trans | 132.1 | 169.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K124 K125 T126 M167 | K124-G169 PolarHBondContact O-N 2.93Å; K125-G169 CarbonylContact C-O 3.59Å; T126-G169 PolarHBondContact N-O 3.05Å; T126-G169 PolarHBondContact OG1-O 3.28Å; M167-G169 PolarHBondContact O-N 3.17Å |
| 170 | R | 91 | Very high | 91.7 | Very high | 184 Ų | 184 | 65.6 Ų | 65.6 | 69% | 0.694 | 34% | 0.337 | S | S | * | . | trans | -101.9 | 107.4 | 171.7 | -68.2 | -178.5 | 175.4 | -158.7 | -2.3 | 107.8 | S123 | S123-R170 WeakPolarHBondContact O-CG 3.44Å; S123-R170 PolarHBondContact O-NE 3.05Å; S123-R170 PolarHBondContact O-NH2 2.61Å; S123-R170 PolarHBondContact OG-NH2 3.19Å | ||
| 171 | F | 92.3 | Very high | 91.8 | Very high | 31 Ų | 31 | 70.3 Ų | 70.3 | 14% | 0.136 | 35% | 0.35 | C | S | . | . | trans | -116.7 | 134.9 | 178.3 | -67 | -71.4 | 0 | 0 | 0 | 110.6 | T126 L153 T155 M167 H175 F176 | T126-F171 HydrophobicContact CG2-CB 4.32Å; T126-F171 PolarHBondContact OG1-N 3.45Å; T126-F171 VanDerWaalsContact OG1-N 3.15Å; L153-F171 HydrophobicContact CB-CE1 4.26Å; L153-F171 HydrophobicContact CB-CZ 4.07Å; L153-F171 HydrophobicContact CD1-CE1 4.36Å; L153-F171 HydrophobicContact CD1-CZ 4.35Å; L153-F171 HydrophobicContact CD2-CD1 4.18Å; L153-F171 HydrophobicContact CD2-CE1 3.88Å; L153-F171 HydrophobicContact CD2-CZ 4.5Å; L153-F171 HydrophobicContact CG-CE1 4.41Å; T155-F171 HydrophobicContact CG2-CE2 3.82Å; T155-F171 HydrophobicContact CG2-CZ 3.49Å; T155-F171 VanDerWaalsContact CG2-CZ 3.49Å; M167-F171 HydrophobicContact CE-CB 4.49Å; M167-F171 HydrophobicContact CE-CD2 3.42Å; M167-F171 VanDerWaalsContact CE-CD2 3.42Å; M167-F171 HydrophobicContact CE-CE2 3.77Å; M167-F171 HydrophobicContact CE-CG 4.02Å; F171-H175 HydrophobicContact CD1-CB 4.36Å; F171-F176 HydrophobicContact CB-CD2 4.28Å; F171-F176 HydrophobicContact CB-CE2 3.6Å; F171-F176 HydrophobicContact CB-CZ 4.22Å | ||
| 172 | Q | 91.9 | Very high | 92.1 | Very high | 111 Ų | 111 | 71 Ų | 71 | 52% | 0.519 | 33% | 0.332 | S | S | . | . | trans | -87.7 | 155 | 168.4 | -56.6 | -179.6 | -2.4 | 0 | 0 | 109.5 | K174 H175 | Q172-K174 PolarHBondContact O-N 3.27Å; Q172-K174 VanDerWaalsContact O-N 3.09Å; Q172-H175 PolarHBondContact N-ND1 3.05Å; Q172-H175 WeakPolarHBondContact O-CB 3.5Å; Q172-H175 PolarHBondContact O-N 3.31Å; Q172-H175 PolarHBondContact O-ND1 2.72Å | ||
| 173 | Q | 92.2 | Very high | 92.4 | Very high | 90 Ų | 90 | 65.4 Ų | 65.4 | 42% | 0.421 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -48.2 | -39.5 | 177.2 | -169.2 | 176.1 | 27.8 | 0 | 0 | 113.9 | P116 V118 H175 F176 E177 | P116-Q173 HydrophobicContact CG-CG 3.98Å; P116-Q173 VanDerWaalsContact O-CG 3.26Å; P116-Q173 WeakPolarHBondContact O-CG 3.48Å; P116-Q173 PolarHBondContact O-NE2 3.16Å; V118-Q173 HydrophobicContact CG2-CB 4.26Å; V118-Q173 HydrophobicContact CG2-CG 4.37Å; Q173-H175 PolarHBondContact O-N 3.12Å; Q173-F176 PolarHBondContact O-N 3.12Å; Q173-E177 PolarHBondContact O-N 3.08Å |
| 174 | K | 92.2 | Very high | 92.7 | Very high | 157 Ų | 157 | 62.7 Ų | 62.7 | 68% | 0.683 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -56 | -33.1 | 178.4 | -64 | -176.2 | 178.5 | -179.5 | 0 | 113.9 | Q172 S178 | Q172-K174 PolarHBondContact O-N 3.27Å; Q172-K174 VanDerWaalsContact O-N 3.09Å; K174-S178 WeakPolarHBondContact O-CB 3.44Å; K174-S178 PolarHBondContact O-N 2.93Å; K174-S178 VanDerWaalsContact O-N 3.08Å |
| 175 | H | 92.2 | Very high | 92.6 | Very high | 86 Ų | 86 | 67.4 Ų | 67.4 | 40% | 0.398 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.5 | -46.3 | -178.9 | -60.5 | 75.4 | 0 | 0 | 0 | 110.2 | L153 F171 Q172 Q173 E177 S178 V179 | L153-H175 HydrophobicContact CD2-CB 4.46Å; F171-H175 HydrophobicContact CD1-CB 4.36Å; Q172-H175 PolarHBondContact N-ND1 3.05Å; Q172-H175 WeakPolarHBondContact O-CB 3.5Å; Q172-H175 PolarHBondContact O-N 3.31Å; Q172-H175 PolarHBondContact O-ND1 2.72Å; Q173-H175 PolarHBondContact O-N 3.12Å; H175-E177 VanDerWaalsContact C-N 3.34Å; H175-E177 PolarHBondContact O-N 2.83Å; H175-S178 PolarHBondContact O-N 2.92Å; H175-V179 WeakPolarHBondContact O-CG2 3.35Å; H175-V179 PolarHBondContact O-N 3.41Å; H175-V179 VanDerWaalsContact O-N 3.1Å |
| 176 | F | 93.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 175.7 | -70.6 | -84.7 | 0 | 0 | 0 | 112 | P116 V118 T126 F128 L153 M167 F171 Q173 S178 V179 L180 | P116-F176 HydrophobicContact CB-CB 4.3Å; P116-F176 HydrophobicContact CG-CB 4.2Å; V118-F176 HydrophobicContact CB-CE2 4.41Å; V118-F176 HydrophobicContact CG1-CD2 4.43Å; V118-F176 HydrophobicContact CG1-CE2 3.81Å; V118-F176 HydrophobicContact CG2-CD2 3.51Å; V118-F176 HydrophobicContact CG2-CE2 3.61Å; V118-F176 HydrophobicContact CG2-CG 4.31Å; V118-F176 HydrophobicContact CG2-CZ 4.46Å; T126-F176 HydrophobicContact CG2-CE2 4.15Å; T126-F176 HydrophobicContact CG2-CZ 4.35Å; F128-F176 HydrophobicContact CB-CE1 4.1Å; F128-F176 HydrophobicContact CB-CZ 4.2Å; F128-F176 HydrophobicContact CD1-CD1 4Å; F128-F176 AromaticContact CD1-CE1 3.93Å; F128-F176 HydrophobicContact CD1-CE1 3.93Å; F128-F176 HydrophobicContact CE1-CD1 4.31Å; F128-F176 HydrophobicContact CG-CD1 4.5Å; F128-F176 HydrophobicContact CG-CE1 4.23Å; L153-F176 HydrophobicContact CD1-CE1 4.5Å; M167-F176 HydrophobicContact CE-CD1 4.24Å; M167-F176 HydrophobicContact CE-CE1 3.15Å; M167-F176 HydrophobicContact CE-CE2 4.08Å; M167-F176 HydrophobicContact CE-CZ 3.08Å; M167-F176 HydrophobicContact SD-CE1 3.72Å; M167-F176 HydrophobicContact SD-CZ 4.14Å; F171-F176 HydrophobicContact CB-CD2 4.28Å; F171-F176 HydrophobicContact CB-CE2 3.6Å; F171-F176 HydrophobicContact CB-CZ 4.22Å; Q173-F176 PolarHBondContact O-N 3.12Å; F176-S178 VanDerWaalsContact C-N 3.35Å; F176-S178 PolarHBondContact O-N 2.98Å; F176-V179 PolarHBondContact O-N 3.47Å; F176-L180 HydrophobicContact CB-CD1 4.43Å; F176-L180 WeakPolarHBondContact O-CB 3.23Å; F176-L180 WeakPolarHBondContact O-CD1 3.43Å; F176-L180 WeakPolarHBondContact O-CG 3.44Å; F176-L180 PolarHBondContact O-N 3.4Å |
| 177 | E | 92.6 | Very high | 92.5 | Very high | 73 Ų | 73 | 69.5 Ų | 69.5 | 34% | 0.341 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 178.3 | -167.3 | -166.6 | 151.1 | 0 | 0 | 111.7 | P116 Q173 H175 V179 L180 R181 | P116-E177 HydrophobicContact CG-CB 4.45Å; Q173-E177 PolarHBondContact O-N 3.08Å; H175-E177 VanDerWaalsContact C-N 3.34Å; H175-E177 PolarHBondContact O-N 2.83Å; E177-V179 PolarHBondContact O-N 2.85Å; E177-L180 PolarHBondContact O-N 3.18Å; E177-R181 WeakPolarHBondContact O-CB 3.3Å; E177-R181 VanDerWaalsContact O-CG 3.23Å; E177-R181 WeakPolarHBondContact O-CG 3.37Å; E177-R181 PolarHBondContact O-N 3.39Å; E177-R181 IonicContact OE1-CZ 3.19Å; E177-R181 IonicContact OE1-NE 2.89Å; E177-R181 PolarHBondContact OE1-NE 2.95Å; E177-R181 IonicContact OE1-NH2 2.66Å; E177-R181 PolarHBondContact OE1-NH2 3.24Å |
| 178 | S | 93.7 | Very high | 92.4 | Very high | 63 Ų | 63 | 69.5 Ų | 69.5 | 44% | 0.441 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.7 | -47.2 | 176.7 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | K174 H175 F176 R181 K182 | K174-S178 WeakPolarHBondContact O-CB 3.44Å; K174-S178 PolarHBondContact O-N 2.93Å; K174-S178 VanDerWaalsContact O-N 3.08Å; H175-S178 PolarHBondContact O-N 2.92Å; F176-S178 VanDerWaalsContact C-N 3.35Å; F176-S178 PolarHBondContact O-N 2.98Å; S178-R181 PolarHBondContact O-N 3.26Å; S178-K182 WeakPolarHBondContact O-CG 3.46Å; S178-K182 PolarHBondContact O-N 3.25Å |
| 179 | V | 93.9 | Very high | 92.4 | Very high | 8 Ų | 8 | 65.5 Ų | 65.5 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.3 | -42.4 | -180 | 180 | 0 | 0 | 0 | 0 | 111.5 | F148 L149 E152 L153 H175 F176 E177 R181 K182 Y183 | F148-V179 HydrophobicContact CD1-CG1 3.97Å; F148-V179 HydrophobicContact CE1-CG1 3.65Å; L149-V179 HydrophobicContact CD2-CB 4.22Å; L149-V179 HydrophobicContact CD2-CG1 3.67Å; E152-V179 HydrophobicContact CB-CG1 3.65Å; E152-V179 HydrophobicContact CB-CG2 4.06Å; E152-V179 HydrophobicContact CG-CG1 3.91Å; L153-V179 HydrophobicContact CD2-CG2 3.89Å; L153-V179 HydrophobicContact CG-CG2 4.3Å; H175-V179 WeakPolarHBondContact O-CG2 3.35Å; H175-V179 PolarHBondContact O-N 3.41Å; H175-V179 VanDerWaalsContact O-N 3.1Å; F176-V179 PolarHBondContact O-N 3.47Å; E177-V179 PolarHBondContact O-N 2.85Å; V179-R181 VanDerWaalsContact C-N 3.31Å; V179-R181 PolarHBondContact O-N 3.4Å; V179-K182 WeakPolarHBondContact O-CB 3.43Å; V179-K182 PolarHBondContact O-N 3.13Å; V179-K182 VanDerWaalsContact O-N 3.13Å; V179-Y183 PolarHBondContact O-N 3Å |
| 180 | L | 93.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64 | -36.7 | 177.8 | -70.1 | 163.5 | 0 | 0 | 0 | 111.6 | M113 P116 F128 L149 F176 E177 K182 Y183 I184 | M113-L180 HydrophobicContact CE-CB 4.05Å; M113-L180 HydrophobicContact CE-CD1 3.47Å; M113-L180 VanDerWaalsContact CE-CD1 3.47Å; M113-L180 HydrophobicContact CE-CD2 4.41Å; M113-L180 HydrophobicContact CE-CG 4.15Å; M113-L180 HydrophobicContact SD-CB 4.44Å; P116-L180 HydrophobicContact CB-CD1 4.24Å; P116-L180 HydrophobicContact CG-CD1 4.44Å; F128-L180 HydrophobicContact CE1-CD1 4.21Å; F128-L180 HydrophobicContact CZ-CD1 4.05Å; L149-L180 HydrophobicContact CD2-CD2 4.35Å; F176-L180 HydrophobicContact CB-CD1 4.43Å; F176-L180 WeakPolarHBondContact O-CB 3.23Å; F176-L180 WeakPolarHBondContact O-CD1 3.43Å; F176-L180 WeakPolarHBondContact O-CG 3.44Å; F176-L180 PolarHBondContact O-N 3.4Å; E177-L180 PolarHBondContact O-N 3.18Å; L180-K182 VanDerWaalsContact C-N 3.34Å; L180-K182 PolarHBondContact O-N 2.94Å; L180-Y183 WeakPolarHBondContact O-CB 3.39Å; L180-Y183 PolarHBondContact O-N 3Å; L180-I184 VanDerWaalsContact O-CG1 3.29Å; L180-I184 WeakPolarHBondContact O-CG1 3.41Å; L180-I184 PolarHBondContact O-N 3.22Å |
| 181 | R | 91.8 | Very high | 92.4 | Very high | 161 Ų | 161 | 60.5 Ų | 60.5 | 61% | 0.608 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.7 | -40.4 | 172.7 | -74.1 | 172.9 | -178.2 | -70.4 | 0.5 | 112.2 | E177 S178 V179 K185 | E177-R181 WeakPolarHBondContact O-CB 3.3Å; E177-R181 VanDerWaalsContact O-CG 3.23Å; E177-R181 WeakPolarHBondContact O-CG 3.37Å; E177-R181 PolarHBondContact O-N 3.39Å; E177-R181 IonicContact OE1-CZ 3.19Å; E177-R181 IonicContact OE1-NE 2.89Å; E177-R181 PolarHBondContact OE1-NE 2.95Å; E177-R181 IonicContact OE1-NH2 2.66Å; E177-R181 PolarHBondContact OE1-NH2 3.24Å; S178-R181 PolarHBondContact O-N 3.26Å; V179-R181 VanDerWaalsContact C-N 3.31Å; V179-R181 PolarHBondContact O-N 3.4Å; R181-K185 PolarHBondContact O-N 3.17Å |
| 182 | K | 93.2 | Very high | 92.2 | Very high | 90 Ų | 90 | 63.8 Ų | 63.8 | 39% | 0.391 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 173.3 | -64 | -178.9 | -169.6 | 179.5 | 0 | 111.2 | F148 E152 S178 V179 L180 I184 K185 E186 | F148-K182 HydrophobicContact CZ-CB 4.26Å; E152-K182 WeakPolarHBondContact OE2-CD 3.5Å; E152-K182 IonicContact OE2-NZ 2.76Å; E152-K182 PolarHBondContact OE2-NZ 3.31Å; S178-K182 WeakPolarHBondContact O-CG 3.46Å; S178-K182 PolarHBondContact O-N 3.25Å; V179-K182 WeakPolarHBondContact O-CB 3.43Å; V179-K182 PolarHBondContact O-N 3.13Å; V179-K182 VanDerWaalsContact O-N 3.13Å; L180-K182 VanDerWaalsContact C-N 3.34Å; L180-K182 PolarHBondContact O-N 2.94Å; K182-I184 VanDerWaalsContact C-N 3.34Å; K182-I184 PolarHBondContact O-N 3.15Å; K182-K185 WeakPolarHBondContact O-CB 3.35Å; K182-K185 PolarHBondContact O-N 3.3Å; K182-K185 VanDerWaalsContact O-N 3.17Å; K182-E186 PolarHBondContact O-N 2.97Å |
| 183 | Y | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.1 | -46.8 | 179.2 | -175.8 | -103.7 | 0 | 0 | 0 | 112.3 | L138 R140 H144 V145 F148 V179 L180 K185 E186 Y187 V188 | L138-Y183 HydrophobicContact CD1-CD1 4.4Å; L138-Y183 HydrophobicContact CD1-CE1 4.37Å; R140-Y183 HydrophobicContact CG-CE1 4.46Å; H144-Y183 AromaticContact CE1-CE2 3.87Å; H144-Y183 AromaticContact ND1-CE2 3.65Å; H144-Y183 AromaticContact ND1-CZ 3.7Å; H144-Y183 PolarHBondContact ND1-OH 3.49Å; V145-Y183 HydrophobicContact CG2-CE1 3.88Å; V145-Y183 WeakPolarHBondContact CG2-OH 3.16Å; F148-Y183 HydrophobicContact CB-CD2 3.87Å; F148-Y183 HydrophobicContact CB-CE2 4.05Å; F148-Y183 AromaticContact CD1-CD2 3.44Å; F148-Y183 HydrophobicContact CD1-CD2 3.44Å; F148-Y183 VanDerWaalsContact CD1-CD2 3.44Å; F148-Y183 HydrophobicContact CD1-CE2 4.43Å; F148-Y183 AromaticContact CD1-CG 3.98Å; F148-Y183 HydrophobicContact CD1-CG 3.98Å; F148-Y183 HydrophobicContact CD2-CD2 4.08Å; F148-Y183 AromaticContact CE1-CD2 3.94Å; F148-Y183 HydrophobicContact CE1-CD2 3.94Å; F148-Y183 HydrophobicContact CE1-CG 4.21Å; F148-Y183 AromaticContact CG-CD2 3.51Å; F148-Y183 HydrophobicContact CG-CD2 3.51Å; F148-Y183 HydrophobicContact CG-CE2 4.15Å; F148-Y183 HydrophobicContact CG-CG 4.47Å; F148-Y183 HydrophobicContact CZ-CD2 4.44Å; V179-Y183 PolarHBondContact O-N 3Å; L180-Y183 WeakPolarHBondContact O-CB 3.39Å; L180-Y183 PolarHBondContact O-N 3Å; Y183-K185 VanDerWaalsContact C-N 3.29Å; Y183-K185 PolarHBondContact O-N 2.97Å; Y183-E186 PolarHBondContact O-N 2.76Å; Y183-Y187 AromaticContact CD2-CD2 3.45Å; Y183-Y187 HydrophobicContact CD2-CD2 3.45Å; Y183-Y187 VanDerWaalsContact CD2-CD2 3.45Å; Y183-Y187 HydrophobicContact CD2-CE2 4.12Å; Y183-Y187 HydrophobicContact CD2-CG 4.09Å; Y183-Y187 AromaticContact CE2-CD2 3.59Å; Y183-Y187 HydrophobicContact CE2-CD2 3.59Å; Y183-Y187 HydrophobicContact CE2-CE2 4.35Å; Y183-Y187 AromaticContact CE2-CG 3.78Å; Y183-Y187 HydrophobicContact CE2-CG 3.78Å; Y183-Y187 HydrophobicContact CG-CD2 4.28Å; Y183-Y187 PolarHBondContact O-N 3.09Å; Y183-V188 HydrophobicContact CD1-CG2 4.1Å; Y183-V188 HydrophobicContact CE1-CG2 3.82Å |
| 184 | I | 93 | Very high | 91.6 | Very high | 22 Ų | 22 | 61.8 Ų | 61.8 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.8 | -42.4 | -180 | -70.7 | 166.5 | 0 | 0 | 0 | 110.6 | F111 M113 L138 L180 K182 E186 V188 T189 | F111-I184 HydrophobicContact CD1-CD1 4.26Å; F111-I184 HydrophobicContact CE1-CD1 4.19Å; M113-I184 HydrophobicContact SD-CD1 3.76Å; L138-I184 HydrophobicContact CD2-CD1 4.2Å; L138-I184 HydrophobicContact CD2-CG1 3.9Å; L180-I184 VanDerWaalsContact O-CG1 3.29Å; L180-I184 WeakPolarHBondContact O-CG1 3.41Å; L180-I184 PolarHBondContact O-N 3.22Å; K182-I184 VanDerWaalsContact C-N 3.34Å; K182-I184 PolarHBondContact O-N 3.15Å; I184-E186 VanDerWaalsContact C-N 3.3Å; I184-E186 PolarHBondContact O-N 2.91Å; I184-V188 HydrophobicContact CG2-CB 4.38Å; I184-V188 PolarHBondContact O-N 2.89Å; I184-T189 HydrophobicContact CG2-CG2 3.73Å; I184-T189 PolarHBondContact O-N 3.36Å; I184-T189 PolarHBondContact O-OG1 2.78Å; I184-T189 VanDerWaalsContact O-OG1 3.13Å |
| 185 | K | 90.9 | Very high | 91.3 | Very high | 155 Ų | 155 | 55.3 Ų | 55.3 | 67% | 0.674 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.5 | -34.6 | -179.3 | -170.4 | -179.4 | 177.7 | -172.3 | 0 | 113.1 | R181 K182 Y183 T189 | R181-K185 PolarHBondContact O-N 3.17Å; K182-K185 WeakPolarHBondContact O-CB 3.35Å; K182-K185 PolarHBondContact O-N 3.3Å; K182-K185 VanDerWaalsContact O-N 3.17Å; Y183-K185 VanDerWaalsContact C-N 3.29Å; Y183-K185 PolarHBondContact O-N 2.97Å; K185-T189 WeakPolarHBondContact CA-OG1 3.21Å; K185-T189 PolarHBondContact O-OG1 3Å; K185-T189 VanDerWaalsContact O-OG1 3.11Å |
| 186 | E | 91.9 | Very high | 91.1 | Very high | 81 Ų | 81 | 52.8 Ų | 52.8 | 38% | 0.379 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -93.7 | -43.5 | -174.7 | -69.6 | 178.8 | -176.9 | 0 | 0 | 113.4 | K182 Y183 I184 | K182-E186 PolarHBondContact O-N 2.97Å; Y183-E186 PolarHBondContact O-N 2.76Å; I184-E186 VanDerWaalsContact C-N 3.3Å; I184-E186 PolarHBondContact O-N 2.91Å |
| 187 | Y | 93.5 | Very high | 90.9 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -112.6 | -6.1 | -167.6 | -60.4 | -85.7 | 0 | 0 | 0 | 114.9 | R140 H144 F148 Y183 L209 V220 A221 I223 | R140-Y187 PolarHBondContact NE-O 2.88Å; R140-Y187 PolarHBondContact NH2-O 3.01Å; H144-Y187 AromaticContact CE1-CD1 3.45Å; H144-Y187 VanDerWaalsContact CE1-CD1 3.45Å; H144-Y187 WeakPolarHBondContact CE1-CD1 3.43Å; H144-Y187 AromaticContact CE1-CE1 3.75Å; H144-Y187 AromaticContact CE1-CG 3.92Å; F148-Y187 HydrophobicContact CD2-CD2 4.41Å; F148-Y187 AromaticContact CD2-CE2 3.63Å; F148-Y187 HydrophobicContact CD2-CE2 3.63Å; F148-Y187 HydrophobicContact CE2-CD2 4.39Å; F148-Y187 AromaticContact CE2-CE2 3.55Å; F148-Y187 HydrophobicContact CE2-CE2 3.55Å; F148-Y187 HydrophobicContact CZ-CE2 4.37Å; Y183-Y187 AromaticContact CD2-CD2 3.45Å; Y183-Y187 HydrophobicContact CD2-CD2 3.45Å; Y183-Y187 VanDerWaalsContact CD2-CD2 3.45Å; Y183-Y187 HydrophobicContact CD2-CE2 4.12Å; Y183-Y187 HydrophobicContact CD2-CG 4.09Å; Y183-Y187 AromaticContact CE2-CD2 3.59Å; Y183-Y187 HydrophobicContact CE2-CD2 3.59Å; Y183-Y187 HydrophobicContact CE2-CE2 4.35Å; Y183-Y187 AromaticContact CE2-CG 3.78Å; Y183-Y187 HydrophobicContact CE2-CG 3.78Å; Y183-Y187 HydrophobicContact CG-CD2 4.28Å; Y183-Y187 PolarHBondContact O-N 3.09Å; Y187-L209 WeakPolarHBondContact O-CD1 3.38Å; Y187-V220 HydrophobicContact CD1-CB 4.35Å; Y187-V220 HydrophobicContact CD1-CG1 3.43Å; Y187-V220 VanDerWaalsContact CD1-CG1 3.43Å; Y187-V220 HydrophobicContact CE1-CB 4.39Å; Y187-V220 HydrophobicContact CE1-CG1 3.37Å; Y187-V220 HydrophobicContact CG-CG1 4.2Å; Y187-A221 WeakPolarHBondContact CE1-O 3.24Å; Y187-A221 PolarHBondContact OH-O 3.15Å; Y187-A221 VanDerWaalsContact OH-O 3.09Å; Y187-I223 HydrophobicContact CE1-CG1 4.31Å |
| 188 | V | 92.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -49.1 | -174.4 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | L138 R140 Y183 I184 C190 A196 T198 | L138-V188 HydrophobicContact CD2-CG1 4.06Å; L138-V188 HydrophobicContact CD2-CG2 4.17Å; R140-V188 HydrophobicContact CG-CG2 4.47Å; Y183-V188 HydrophobicContact CD1-CG2 4.1Å; Y183-V188 HydrophobicContact CE1-CG2 3.82Å; I184-V188 HydrophobicContact CG2-CB 4.38Å; I184-V188 PolarHBondContact O-N 2.89Å; V188-C190 PolarHBondContact O-N 2.79Å; V188-A196 HydrophobicContact CG1-CB 4.5Å; V188-T198 VanDerWaalsContact O-CG2 3.27Å; V188-T198 WeakPolarHBondContact O-CG2 3.26Å; V188-T198 PolarHBondContact O-OG1 3.5Å |
| 189 | T | 91.2 | Very high | 90.9 | Very high | 32 Ų | 32 | 52.7 Ų | 52.7 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -77.2 | 128.5 | 178.8 | 57.4 | 0 | 0 | 0 | 0 | 110.7 | I184 K185 S195 | I184-T189 HydrophobicContact CG2-CG2 3.73Å; I184-T189 PolarHBondContact O-N 3.36Å; I184-T189 PolarHBondContact O-OG1 2.78Å; I184-T189 VanDerWaalsContact O-OG1 3.13Å; K185-T189 WeakPolarHBondContact CA-OG1 3.21Å; K185-T189 PolarHBondContact O-OG1 3Å; K185-T189 VanDerWaalsContact O-OG1 3.11Å; T189-S195 WeakPolarHBondContact CA-O 3.4Å |
| 190 | C | 91.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -62.8 | 137.9 | 170.8 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | V188 T192 K194 S195 T198 C211 C214 S216 | V188-C190 PolarHBondContact O-N 2.79Å; C190-T192 VanDerWaalsContact C-N 3.27Å; C190-T192 PolarHBondContact O-N 3.28Å; C190-T192 PolarHBondContact SG-OG1 2.86Å; C190-K194 WeakPolarHBondContact O-CA 3.36Å; C190-K194 PolarHBondContact O-N 2.73Å; C190-S195 PolarHBondContact N-O 2.66Å; C190-S195 VanDerWaalsContact N-O 3.1Å; C190-T198 HydrophobicContact CB-CG2 3.82Å; C190-C211 HydrophobicContact CB-CB 4.04Å; C190-C214 VanDerWaalsContact SG-SG 3.67Å; C190-S216 PolarHBondContact SG-OG 3.14Å; C190-S216 VanDerWaalsContact SG-OG 3.34Å | ||
| 191 | H | 88.5 | Confident | 90.9 | Very high | 103 Ų | 103 | 57.2 Ų | 57.2 | 48% | 0.477 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -26.7 | 178.8 | -60.3 | -43 | 0 | 0 | 0 | 113.3 | ||
| 192 | T | 88.8 | Confident | 90.8 | Very high | 99 Ų | 99 | 56.7 Ų | 56.7 | 61% | 0.607 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -57.4 | -174.8 | -19.4 | 0 | 0 | 0 | 0 | 111.9 | C190 S216 | C190-T192 VanDerWaalsContact C-N 3.27Å; C190-T192 PolarHBondContact O-N 3.28Å; C190-T192 PolarHBondContact SG-OG1 2.86Å; T192-S216 PolarHBondContact OG1-OG 2.99Å |
| 193 | C | 85.4 | Confident | 90.7 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -9 | -173.9 | 61.5 | 0 | 0 | 0 | 0 | 114.2 | L103 S195 C211 C214 | L103-C193 HydrophobicContact CD1-CB 4.16Å; C193-S195 PolarHBondContact O-N 2.89Å; C193-S195 PolarHBondContact SG-OG 3.3Å; C193-C211 VanDerWaalsContact SG-SG 3.62Å; C193-C214 HydrophobicContact CB-CB 4.39Å |
| 194 | K | 86.3 | Confident | 90.5 | Very high | 142 Ų | 142 | 62.4 Ų | 62.4 | 62% | 0.617 | 32% | 0.324 | S | S | * | . | trans | 59.5 | 17.5 | -177.2 | -56.7 | 175.9 | -179.4 | 173.8 | 0 | 115.1 | C190 | C190-K194 WeakPolarHBondContact O-CA 3.36Å; C190-K194 PolarHBondContact O-N 2.73Å | ||
| 195 | S | 85.5 | Confident | 90.4 | Very high | 22 Ų | 22 | 71.9 Ų | 71.9 | 15% | 0.154 | 36% | 0.359 | C | S | . | . | trans | -70.6 | 152.5 | 170.7 | 68 | 0 | 0 | 0 | 0 | 110.9 | T189 C190 C193 C211 T213 | T189-S195 WeakPolarHBondContact CA-O 3.4Å; C190-S195 PolarHBondContact N-O 2.66Å; C190-S195 VanDerWaalsContact N-O 3.1Å; C193-S195 PolarHBondContact O-N 2.89Å; C193-S195 PolarHBondContact SG-OG 3.3Å; S195-C211 PolarHBondContact OG-SG 3.49Å; S195-T213 PolarHBondContact OG-OG1 2.89Å; S195-T213 VanDerWaalsContact OG-OG1 3.05Å | ||
| 196 | A | 87.4 | Confident | 90.4 | Very high | 32 Ų | 32 | 68.5 Ų | 68.5 | 26% | 0.264 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -86.8 | -8.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F111 V188 T198 | F111-A196 HydrophobicContact CD2-CB 3.94Å; F111-A196 HydrophobicContact CE2-CB 4.18Å; V188-A196 HydrophobicContact CG1-CB 4.5Å; A196-T198 VanDerWaalsContact C-N 3.32Å; A196-T198 PolarHBondContact O-N 2.95Å |
| 197 | D | 89.6 | Confident | 90.5 | Very high | 75 Ų | 75 | 66.6 Ų | 66.6 | 40% | 0.401 | 34% | 0.338 | S | S | . | . | trans | -83.8 | 77.7 | -179.7 | -66 | -52.2 | 0 | 0 | 0 | 111.1 | K139 Q212 | K139-D197 IonicContact NZ-OD1 2.81Å; K139-D197 PolarHBondContact NZ-OD1 2.82Å; D197-Q212 PolarHBondContact O-N 2.97Å | ||
| 198 | T | 93.1 | Very high | 90.5 | Very high | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 150.8 | 178.4 | 63.4 | 0 | 0 | 0 | 0 | 109.7 | R140 V188 C190 A196 L209 Q210 C211 | R140-T198 PolarHBondContact NH1-O 3.39Å; R140-T198 PolarHBondContact NH2-O 3.13Å; R140-T198 VanDerWaalsContact NH2-O 3.09Å; R140-T198 PolarHBondContact NH2-OG1 3.11Å; V188-T198 VanDerWaalsContact O-CG2 3.27Å; V188-T198 WeakPolarHBondContact O-CG2 3.26Å; V188-T198 PolarHBondContact O-OG1 3.5Å; C190-T198 HydrophobicContact CB-CG2 3.82Å; A196-T198 VanDerWaalsContact C-N 3.32Å; A196-T198 PolarHBondContact O-N 2.95Å; T198-L209 HydrophobicContact CG2-CD2 3.65Å; T198-L209 HydrophobicContact CG2-CG 4.31Å; T198-Q210 CarbonylContact C-O 3.53Å; T198-Q210 VanDerWaalsContact CA-O 3.31Å; T198-Q210 WeakPolarHBondContact CA-O 3.35Å; T198-C211 HydrophobicContact CG2-CB 4.06Å |
| 199 | V | 93.9 | Very high | 90.6 | Very high | 57 Ų | 57 | 69.4 Ų | 69.4 | 35% | 0.345 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 141.2 | 174.5 | -180 | 0 | 0 | 0 | 0 | 108 | L209 Q210 Q212 | V199-L209 WeakPolarHBondContact O-CA 3.03Å; V199-Q210 PolarHBondContact N-O 3.34Å; V199-Q210 PolarHBondContact O-N 3.4Å; V199-Q212 HydrophobicContact CG2-CG 4.33Å |
| 200 | L | 93.4 | Very high | 90.8 | Very high | 33 Ų | 33 | 69.9 Ų | 69.9 | 17% | 0.173 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 107.6 | 177.9 | -168.6 | 76 | 0 | 0 | 0 | 108.9 | F207 L209 | L200-F207 HydrophobicContact CD1-CB 4.07Å; L200-F207 HydrophobicContact CD2-CD1 4.14Å; L200-F207 HydrophobicContact CG-CB 4.43Å; L200-F207 HydrophobicContact CG-CD1 4.26Å; L200-L209 HydrophobicContact CD1-CB 4.36Å |
| 201 | D | 93.2 | Very high | 90.9 | Very high | 72 Ų | 72 | 70 Ų | 70 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 142.2 | 176.9 | -63.7 | -40.4 | 0 | 0 | 0 | 109.6 | F207 F208 | D201-F207 WeakPolarHBondContact O-CA 3.39Å; D201-F208 PolarHBondContact N-O 3.35Å; D201-F208 PolarHBondContact O-N 3.3Å |
| 202 | K | 91 | Very high | 91 | Very high | 149 Ų | 149 | 70.8 Ų | 70.8 | 65% | 0.648 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 116 | 175.7 | -170.7 | -175.5 | 179.4 | -161.8 | 0 | 108.1 | F207 | K202-F207 HydrophobicContact CB-CD1 3.91Å; K202-F207 HydrophobicContact CB-CE1 3.82Å; K202-F207 HydrophobicContact CD-CE1 3.79Å; K202-F207 HydrophobicContact CD-CZ 4.06Å; K202-F207 HydrophobicContact CG-CD1 3.95Å; K202-F207 HydrophobicContact CG-CE1 3.65Å; K202-F207 HydrophobicContact CG-CZ 4.2Å |
| 203 | D | 91.1 | Very high | 90.9 | Very high | 92 Ų | 92 | 68.1 Ų | 68.1 | 49% | 0.492 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.9 | 176.5 | -172 | 5.8 | 0 | 0 | 0 | 108.8 | R205 L206 F208 | D203-R205 PolarHBondContact O-N 3.1Å; D203-L206 PolarHBondContact N-O 3.45Å; D203-L206 VanDerWaalsContact N-O 3.08Å; D203-L206 PolarHBondContact O-N 3.47Å; D203-F208 HydrophobicContact CB-CD2 3.58Å; D203-F208 HydrophobicContact CB-CE2 3.65Å |
| 204 | T | 89.7 | Confident | 91 | Very high | 118 Ų | 118 | 69.7 Ų | 69.7 | 72% | 0.724 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | -103.5 | -171.3 | 65 | 0 | 0 | 0 | 0 | 113.7 | ||
| 205 | R | 89.8 | Confident | 91 | Very high | 221 Ų | 221 | 65.3 Ų | 65.3 | 83% | 0.834 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -17.1 | -176.2 | -62.1 | -179.1 | -178.5 | -176.4 | 0.7 | 112.9 | D203 T222 | D203-R205 PolarHBondContact O-N 3.1Å; R205-T222 VanDerWaalsContact O-CG2 3.32Å; R205-T222 WeakPolarHBondContact O-CG2 3.47Å |
| 206 | L | 92.3 | Very high | 91.3 | Very high | 85 Ų | 85 | 65.6 Ų | 65.6 | 45% | 0.445 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 155.3 | -173.5 | -61.6 | 175.5 | 0 | 0 | 0 | 110.6 | D203 T222 | D203-L206 PolarHBondContact N-O 3.45Å; D203-L206 VanDerWaalsContact N-O 3.08Å; D203-L206 PolarHBondContact O-N 3.47Å; L206-T222 HydrophobicContact CD2-CG2 4.26Å |
| 207 | F | 93.4 | Very high | 91.6 | Very high | 40 Ų | 40 | 72.9 Ų | 72.9 | 18% | 0.175 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133.1 | 170.4 | -67.9 | -82.3 | 0 | 0 | 0 | 108.9 | L200 D201 K202 V220 T222 | L200-F207 HydrophobicContact CD1-CB 4.07Å; L200-F207 HydrophobicContact CD2-CD1 4.14Å; L200-F207 HydrophobicContact CG-CB 4.43Å; L200-F207 HydrophobicContact CG-CD1 4.26Å; D201-F207 WeakPolarHBondContact O-CA 3.39Å; K202-F207 HydrophobicContact CB-CD1 3.91Å; K202-F207 HydrophobicContact CB-CE1 3.82Å; K202-F207 HydrophobicContact CD-CE1 3.79Å; K202-F207 HydrophobicContact CD-CZ 4.06Å; K202-F207 HydrophobicContact CG-CD1 3.95Å; K202-F207 HydrophobicContact CG-CE1 3.65Å; K202-F207 HydrophobicContact CG-CZ 4.2Å; F207-V220 PolarHBondContact O-N 3Å; F207-T222 HydrophobicContact CD2-CG2 4.17Å; F207-T222 HydrophobicContact CE2-CG2 4.48Å |
| 208 | F | 94.3 | Very high | 91.7 | Very high | 65 Ų | 65 | 70.6 Ų | 70.6 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.2 | 173.6 | -71 | -74.5 | 0 | 0 | 0 | 109.6 | D201 D203 C218 | D201-F208 PolarHBondContact N-O 3.35Å; D201-F208 PolarHBondContact O-N 3.3Å; D203-F208 HydrophobicContact CB-CD2 3.58Å; D203-F208 HydrophobicContact CB-CE2 3.65Å; F208-C218 CarbonylContact C-O 3.53Å; F208-C218 WeakPolarHBondContact CA-O 3.3Å |
| 209 | L | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 111.7 | 171 | -176.7 | 153.6 | 0 | 0 | 0 | 107.9 | Y187 T198 V199 L200 C218 V220 | Y187-L209 WeakPolarHBondContact O-CD1 3.38Å; T198-L209 HydrophobicContact CG2-CD2 3.65Å; T198-L209 HydrophobicContact CG2-CG 4.31Å; V199-L209 WeakPolarHBondContact O-CA 3.03Å; L200-L209 HydrophobicContact CD1-CB 4.36Å; L209-C218 PolarHBondContact N-O 3.08Å; L209-C218 PolarHBondContact O-N 3.48Å; L209-V220 HydrophobicContact CB-CG2 3.54Å; L209-V220 HydrophobicContact CD1-CG2 4.17Å |
| 210 | Q | 94.8 | Very high | 91.7 | Very high | 43 Ų | 43 | 72 Ų | 72 | 20% | 0.201 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.1 | 176.1 | -178.8 | 165 | -30.6 | 0 | 0 | 109.2 | T198 V199 R217 | T198-Q210 CarbonylContact C-O 3.53Å; T198-Q210 VanDerWaalsContact CA-O 3.31Å; T198-Q210 WeakPolarHBondContact CA-O 3.35Å; V199-Q210 PolarHBondContact N-O 3.34Å; V199-Q210 PolarHBondContact O-N 3.4Å; Q210-R217 HydrophobicContact CB-CG 4.42Å; Q210-R217 HydrophobicContact CG-CG 4.25Å; Q210-R217 VanDerWaalsContact OE1-NH2 3.15Å |
| 211 | C | 93.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.007 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 134.1 | 175.4 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | C190 C193 S195 T198 T213 C214 G215 S216 | C190-C211 HydrophobicContact CB-CB 4.04Å; C193-C211 VanDerWaalsContact SG-SG 3.62Å; S195-C211 PolarHBondContact OG-SG 3.49Å; T198-C211 HydrophobicContact CG2-CB 4.06Å; C211-T213 PolarHBondContact SG-N 2.85Å; C211-T213 VanDerWaalsContact SG-N 3.43Å; C211-C214 WeakPolarHBondContact CB-SG 3.49Å; C211-C214 PolarHBondContact SG-SG 2.97Å; C211-G215 WeakPolarHBondContact O-CA 3.31Å; C211-G215 PolarHBondContact O-N 2.96Å; C211-S216 PolarHBondContact N-O 3.31Å |
| 212 | Q | 90.6 | Very high | 91.6 | Very high | 121 Ų | 121 | 72.2 Ų | 72.2 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -26.3 | 177.8 | -61 | -60.8 | -13 | 0 | 0 | 112.4 | D197 V199 | D197-Q212 PolarHBondContact O-N 2.97Å; V199-Q212 HydrophobicContact CG2-CG 4.33Å |
| 213 | T | 87.6 | Confident | 91.7 | Very high | 42 Ų | 42 | 67 Ų | 67 | 26% | 0.258 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -49.5 | -176.1 | -31.6 | 0 | 0 | 0 | 0 | 111.6 | N100 S195 C211 | N100-T213 WeakPolarHBondContact OD1-CG2 3.34Å; N100-T213 PolarHBondContact OD1-O 3.03Å; S195-T213 PolarHBondContact OG-OG1 2.89Å; S195-T213 VanDerWaalsContact OG-OG1 3.05Å; C211-T213 PolarHBondContact SG-N 2.85Å; C211-T213 VanDerWaalsContact SG-N 3.43Å |
| 214 | C | 86.7 | Confident | 91.5 | Very high | 50 Ų | 50 | 70.7 Ų | 70.7 | 34% | 0.338 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -8.4 | -179.4 | 60.5 | 0 | 0 | 0 | 0 | 114.7 | C190 C193 C211 S216 | C190-C214 VanDerWaalsContact SG-SG 3.67Å; C193-C214 HydrophobicContact CB-CB 4.39Å; C211-C214 WeakPolarHBondContact CB-SG 3.49Å; C211-C214 PolarHBondContact SG-SG 2.97Å; C214-S216 PolarHBondContact O-N 3.24Å; C214-S216 PolarHBondContact SG-OG 3.32Å |
| 215 | G | 87.5 | Confident | 91.3 | Very high | 51 Ų | 51 | 69.5 Ų | 69.5 | 53% | 0.526 | 37% | 0.368 | S | S | . | . | trans | 70.3 | 3.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | C211 | C211-G215 WeakPolarHBondContact O-CA 3.31Å; C211-G215 PolarHBondContact O-N 2.96Å | ||
| 216 | S | 91.2 | Very high | 90.9 | Very high | 28 Ų | 28 | 61.6 Ų | 61.6 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | trans | -70.5 | 134.9 | -179.6 | 64.6 | 0 | 0 | 0 | 0 | 111 | C190 T192 C211 C214 | C190-S216 PolarHBondContact SG-OG 3.14Å; C190-S216 VanDerWaalsContact SG-OG 3.34Å; T192-S216 PolarHBondContact OG1-OG 2.99Å; C211-S216 PolarHBondContact N-O 3.31Å; C214-S216 PolarHBondContact O-N 3.24Å; C214-S216 PolarHBondContact SG-OG 3.32Å | ||
| 217 | R | 93.3 | Very high | 90.5 | Very high | 185 Ų | 185 | 66.9 Ų | 66.9 | 70% | 0.698 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 122.7 | 169.1 | -69.1 | -178.4 | 168.2 | 170.8 | -1.7 | 109.2 | Q210 | Q210-R217 HydrophobicContact CB-CG 4.42Å; Q210-R217 HydrophobicContact CG-CG 4.25Å; Q210-R217 VanDerWaalsContact OE1-NH2 3.15Å |
| 218 | C | 92.8 | Very high | 89.9 | Confident | 26 Ų | 26 | 69.8 Ų | 69.8 | 18% | 0.176 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136 | 177.2 | -60.4 | 0 | 0 | 0 | 0 | 109.4 | F208 L209 | F208-C218 CarbonylContact C-O 3.53Å; F208-C218 WeakPolarHBondContact CA-O 3.3Å; L209-C218 PolarHBondContact N-O 3.08Å; L209-C218 PolarHBondContact O-N 3.48Å |
| 219 | S | 93.4 | Very high | 89.2 | Confident | 81 Ų | 81 | 70 Ų | 70 | 57% | 0.566 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 136 | 168.1 | 50.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 220 | V | 93.1 | Very high | 88.5 | Confident | 10 Ų | 10 | 73.7 Ų | 73.7 | 6% | 0.061 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 148.6 | 176.6 | -171.7 | 0 | 0 | 0 | 0 | 109.3 | Y187 F207 L209 T222 | Y187-V220 HydrophobicContact CD1-CB 4.35Å; Y187-V220 HydrophobicContact CD1-CG1 3.43Å; Y187-V220 VanDerWaalsContact CD1-CG1 3.43Å; Y187-V220 HydrophobicContact CE1-CB 4.39Å; Y187-V220 HydrophobicContact CE1-CG1 3.37Å; Y187-V220 HydrophobicContact CG-CG1 4.2Å; F207-V220 PolarHBondContact O-N 3Å; L209-V220 HydrophobicContact CB-CG2 3.54Å; L209-V220 HydrophobicContact CD1-CG2 4.17Å; V220-T222 PolarHBondContact O-N 2.8Å |
| 221 | A | 92.2 | Very high | 87.7 | Confident | 67 Ų | 67 | 77 Ų | 77 | 55% | 0.554 | 45% | 0.448 | S | S | * | . | trans | -57.1 | 136.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y187 | Y187-A221 WeakPolarHBondContact CE1-O 3.24Å; Y187-A221 PolarHBondContact OH-O 3.15Å; Y187-A221 VanDerWaalsContact OH-O 3.09Å | ||
| 222 | T | 92.3 | Very high | 86.9 | Confident | 41 Ų | 41 | 83 Ų | 83 | 25% | 0.252 | 49% | 0.485 | S | S | . | . | trans | -69.7 | 137 | 171.3 | 56.7 | 0 | 0 | 0 | 0 | 109.4 | R205 L206 F207 V220 K224 | R205-T222 VanDerWaalsContact O-CG2 3.32Å; R205-T222 WeakPolarHBondContact O-CG2 3.47Å; L206-T222 HydrophobicContact CD2-CG2 4.26Å; F207-T222 HydrophobicContact CD2-CG2 4.17Å; F207-T222 HydrophobicContact CE2-CG2 4.48Å; V220-T222 PolarHBondContact O-N 2.8Å; T222-K224 PolarHBondContact O-N 2.78Å | ||
| 223 | I | 92.2 | Very high | 86.2 | Confident | 41 Ų | 41 | 84.2 Ų | 84.2 | 21% | 0.21 | 49% | 0.485 | C | S | . | . | trans | -61.2 | 112.9 | 172.7 | -56.9 | 168.9 | 0 | 0 | 0 | 108.5 | H144 A147 F148 A151 Y187 | H144-I223 WeakPolarHBondContact NE2-CD1 3.24Å; H144-I223 WeakPolarHBondContact O-CD1 3.34Å; A147-I223 HydrophobicContact CB-CD1 4.17Å; A147-I223 HydrophobicContact CB-CG2 4.48Å; F148-I223 HydrophobicContact CB-CD1 3.81Å; F148-I223 HydrophobicContact CB-CG1 4.4Å; F148-I223 HydrophobicContact CD2-CG1 4.25Å; A151-I223 HydrophobicContact CB-CG2 3.92Å; Y187-I223 HydrophobicContact CE1-CG1 4.31Å | ||
| 224 | K | 88.1 | Confident | 85.8 | Confident | 168 Ų | 168 | 89.3 Ų | 89.3 | 73% | 0.73 | 50% | 0.499 | S | S | * | . | trans | -107.9 | 120.2 | 173.6 | -67 | 176.9 | -175.2 | 177.3 | 0 | 107.8 | T222 G226 | T222-K224 PolarHBondContact O-N 2.78Å; K224-G226 PolarHBondContact O-N 3.45Å | ||
| 225 | S | 84.9 | Confident | 85.5 | Confident | 94 Ų | 94 | 90.7 Ų | 90.7 | 66% | 0.657 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 116.8 | 165 | 53.3 | 0 | 0 | 0 | 0 | 108 | ||
| 226 | G | 81.4 | Confident | 85.4 | Confident | 54 Ų | 54 | 95 Ų | 95 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 162.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K224 Q228 | K224-G226 PolarHBondContact O-N 3.45Å; G226-Q228 PolarHBondContact O-N 2.98Å |
| 227 | F | 83.7 | Confident | 85 | Confident | 197 Ų | 197 | 96.7 Ų | 96.7 | 86% | 0.864 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 125.1 | 173.3 | 179.4 | -99.8 | 0 | 0 | 0 | 110.1 | A229 | F227-A229 HydrophobicContact CE1-CB 4.31Š|
| 228 | Q | 80.4 | Confident | 84.5 | Confident | 100 Ų | 100 | 95.2 Ų | 95.2 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | trans | -97.9 | 112.5 | 175.8 | -66.6 | -177 | 2.9 | 0 | 0 | 109.2 | G226 V230 | G226-Q228 PolarHBondContact O-N 2.98Å; Q228-V230 PolarHBondContact O-N 3.15Å; Q228-V230 VanDerWaalsContact O-N 3.09Å | ||
| 229 | A | 79.5 | Confident | 84.2 | Confident | 69 Ų | 69 | 98 Ų | 98 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | trans | -68.1 | 108.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | F227 T231 | F227-A229 HydrophobicContact CE1-CB 4.31Å; A229-T231 VanDerWaalsContact C-N 3.29Å; A229-T231 HydrophobicContact CB-CG2 4.15Å; A229-T231 PolarHBondContact O-N 2.73Å | ||
| 230 | V | 79.4 | Confident | 83.9 | Confident | 79 Ų | 79 | 98.3 Ų | 98.3 | 48% | 0.479 | 56% | 0.557 | S | S | . | * | trans | -80.4 | 80 | 173.4 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | Q228 R233 | Q228-V230 PolarHBondContact O-N 3.15Å; Q228-V230 VanDerWaalsContact O-N 3.09Å; V230-R233 HydrophobicContact CG1-CB 4.12Å | ||
| 231 | T | 79 | Confident | 83.4 | Confident | 111 Ų | 111 | 102.4 Ų | 102.4 | 68% | 0.681 | 58% | 0.582 | S | S | * | * | trans | -81.9 | -46.3 | -179.8 | 55 | 0 | 0 | 0 | 0 | 111.8 | A229 | A229-T231 VanDerWaalsContact C-N 3.29Å; A229-T231 HydrophobicContact CB-CG2 4.15Å; A229-T231 PolarHBondContact O-N 2.73Å | ||
| 232 | T | 76.7 | Confident | 82.5 | Confident | 128 Ų | 128 | 102.7 Ų | 102.7 | 79% | 0.785 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -87.2 | -24 | -167.9 | 47.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 233 | R | 75.6 | Confident | 80.7 | Confident | 147 Ų | 147 | 109.4 Ų | 109.4 | 56% | 0.555 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -107.4 | 7.4 | -171.9 | -63.1 | -170.8 | -171.1 | 177.8 | 2.3 | 115 | V230 A235 Q236 T237 | V230-R233 HydrophobicContact CG1-CB 4.12Å; R233-A235 VanDerWaalsContact C-N 3.31Å; R233-A235 PolarHBondContact O-N 3.17Å; R233-Q236 PolarHBondContact O-N 3.06Å; R233-Q236 VanDerWaalsContact O-N 3.14Å; R233-T237 HydrophobicContact CB-CG2 4.34Å; R233-T237 WeakPolarHBondContact O-CG2 3.41Å; R233-T237 PolarHBondContact O-N 3.19Å; R233-T237 PolarHBondContact O-OG1 3.26Å |
| 234 | R | 78.5 | Confident | 80.1 | Confident | 149 Ų | 149 | 112.9 Ų | 112.9 | 56% | 0.562 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -56.7 | -41.9 | -172.4 | -169.4 | -179.4 | -74 | -167.9 | -4.7 | 113 | T237 R238 | R234-T237 VanDerWaalsContact CA-OG1 3.31Å; R234-T237 WeakPolarHBondContact CA-OG1 3.48Å; R234-T237 PolarHBondContact O-OG1 3.48Å; R234-R238 WeakPolarHBondContact O-CB 3.34Å; R234-R238 VanDerWaalsContact O-CG 3.24Å; R234-R238 WeakPolarHBondContact O-CG 3.33Å; R234-R238 PolarHBondContact O-N 2.96Å |
| 235 | A | 81.4 | Confident | 79.7 | Confident | 79 Ų | 79 | 109.9 Ų | 109.9 | 65% | 0.653 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -66.2 | -45.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R233 R238 A239 | R233-A235 VanDerWaalsContact C-N 3.31Å; R233-A235 PolarHBondContact O-N 3.17Å; A235-R238 PolarHBondContact O-N 3.09Å; A235-A239 PolarHBondContact O-N 3.41Å |
| 236 | Q | 83.7 | Confident | 79.4 | Confident | 140 Ų | 140 | 110.8 Ų | 110.8 | 65% | 0.654 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.9 | -40.8 | 177.6 | -67.8 | 178.2 | -6.4 | 0 | 0 | 112 | R233 A239 A240 | R233-Q236 PolarHBondContact O-N 3.06Å; R233-Q236 VanDerWaalsContact O-N 3.14Å; Q236-A239 PolarHBondContact O-N 3.19Å; Q236-A240 WeakPolarHBondContact O-CB 3.44Å; Q236-A240 PolarHBondContact O-N 2.74Å |
| 237 | T | 82.6 | Confident | 79.3 | Confident | 65 Ų | 65 | 114.2 Ų | 114.2 | 40% | 0.399 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -65.7 | -40.1 | 176.5 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | R233 R234 A240 T241 | R233-T237 HydrophobicContact CB-CG2 4.34Å; R233-T237 WeakPolarHBondContact O-CG2 3.41Å; R233-T237 PolarHBondContact O-N 3.19Å; R233-T237 PolarHBondContact O-OG1 3.26Å; R234-T237 VanDerWaalsContact CA-OG1 3.31Å; R234-T237 WeakPolarHBondContact CA-OG1 3.48Å; R234-T237 PolarHBondContact O-OG1 3.48Å; T237-A240 PolarHBondContact O-N 3.36Å; T237-T241 WeakPolarHBondContact O-CG2 3.47Å; T237-T241 PolarHBondContact O-N 3.19Å; T237-T241 PolarHBondContact O-OG1 2.77Å |
| 238 | R | 83.4 | Confident | 79 | Confident | 153 Ų | 153 | 109 Ų | 109 | 58% | 0.577 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -61.8 | -48.5 | 175.4 | -77.6 | 174.9 | 176.3 | -178 | -4.9 | 111.8 | R234 A235 A240 T241 G242 | R234-R238 WeakPolarHBondContact O-CB 3.34Å; R234-R238 VanDerWaalsContact O-CG 3.24Å; R234-R238 WeakPolarHBondContact O-CG 3.33Å; R234-R238 PolarHBondContact O-N 2.96Å; A235-R238 PolarHBondContact O-N 3.09Å; R238-A240 VanDerWaalsContact C-N 3.27Å; R238-A240 PolarHBondContact O-N 3.14Å; R238-T241 WeakPolarHBondContact CA-OG1 3.41Å; R238-T241 PolarHBondContact O-N 2.78Å; R238-T241 PolarHBondContact O-OG1 3.44Å; R238-G242 PolarHBondContact O-N 3.4Å |
| 239 | A | 86.5 | Confident | 78.9 | Confident | 84 Ų | 84 | 109.6 Ų | 109.6 | 69% | 0.694 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -59.6 | -37.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A235 Q236 | A235-A239 PolarHBondContact O-N 3.41Å; Q236-A239 PolarHBondContact O-N 3.19Å |
| 240 | A | 87 | Confident | 78.9 | Confident | 88 Ų | 88 | 112.5 Ų | 112.5 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.3 | -31.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q236 T237 R238 G242 | Q236-A240 WeakPolarHBondContact O-CB 3.44Å; Q236-A240 PolarHBondContact O-N 2.74Å; T237-A240 PolarHBondContact O-N 3.36Å; R238-A240 VanDerWaalsContact C-N 3.27Å; R238-A240 PolarHBondContact O-N 3.14Å; A240-G242 VanDerWaalsContact C-N 3.29Å |
| 241 | T | 83.2 | Confident | 78.8 | Confident | 97 Ų | 97 | 115.1 Ų | 115.1 | 60% | 0.595 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -79.1 | -9.9 | 178.1 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | T237 R238 V243 | T237-T241 WeakPolarHBondContact O-CG2 3.47Å; T237-T241 PolarHBondContact O-N 3.19Å; T237-T241 PolarHBondContact O-OG1 2.77Å; R238-T241 WeakPolarHBondContact CA-OG1 3.41Å; R238-T241 PolarHBondContact O-N 2.78Å; R238-T241 PolarHBondContact O-OG1 3.44Å; T241-V243 PolarHBondContact O-N 3.03Å; T241-V243 VanDerWaalsContact O-N 3.15Å |
| 242 | G | 72.2 | Confident | 78.8 | Confident | 73 Ų | 73 | 115.4 Ų | 115.4 | 75% | 0.753 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.4 | 22 | 173 | 0 | 0 | 0 | 0 | 0 | 115 | R238 A240 | R238-G242 PolarHBondContact O-N 3.4Å; A240-G242 VanDerWaalsContact C-N 3.29Å |
| 243 | V | 55 | Low | 79 | Confident | 182 Ų | 182 | 114.3 Ų | 114.3 | 100% | 1.103 | 66% | 0.661 | S | S | * | * | trans | -106.7 | 0 | 172 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | T241 | T241-V243 PolarHBondContact O-N 3.03Å; T241-V243 VanDerWaalsContact O-N 3.15Å |
Retrieved 243 of 243 residues in 53.7 ms
(Link to these results)